Ethyl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
Structure Info
- Chemspace ID
- CSSB00016988872 (In-Stock Building Blocks)
- MFCD
- MFCD11973629, MFCD17488799
- IUPAC Name
- ethyl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
- Mol formula
- C18H19NO2
- Mol weight
- 281 Da
- Catalog Number(s)
- 180468-42-2, 61385, A189007456, AA0021Y6, AA95738, ACM180468422, AG-B13637, AG00220Y, AGN-PC-0QBT1B, APB180468422, APS180468422, AR0022PY, BD208744, CD11213959, CS-B0697, CSC016988872, D509874, D77212, D77212-0.25G, E679700, EC00246Q, F787920, HY-32139, IE71486, JH182230, OR1138976, OR91929, ST0023HQ, TX00236M, TYD-08223, Y1092531, Z3234889393, Z6128
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.94
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.277
- Polar surface area (Å)
- 30
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00016988872
Items Overall 14 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angene International Limited | 10 days | China To: | 98 | 50 mg | 50.40 | |
| Angene International Limited | 10 days | China To: | 98 | 250 mg | 170.10 | |
| Angene International Limited | 10 days | China To: | 98 | 1 g | 483.30 | |
Description: (S)-Ethyl-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate; CAS: 180468-42-2 | ||||||
| AA Blocks CN | 12 days | China To: | 98 | 50 mg | 97.90 | |
| AA Blocks CN | 12 days | China To: | 98 | 250 mg | 294.80 | |
| AA Blocks CN | 12 days | China To: | 98 | 1 g | 807.40 | |
Description: (S)-Ethyl-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate; CAS: 180468-42-2 | ||||||
| 1st Scientific CN | 14 days | China To: | 90 | 50 mg | 88.00 | |
| 1st Scientific CN | 14 days | China To: | 90 | 250 mg | 264.00 | |
| 1st Scientific CN | 14 days | China To: | 90 | 1 g | 704.00 | |
Description: (S)-Ethyl-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate; CAS: 180468-42-2 | ||||||
| Fluorochem CN | 14 days | China To: | 98 | 50 mg | 105.00 | |
| Fluorochem CN | 14 days | China To: | 98 | 250 mg | 349.00 | |
Description: (S)-ethyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate; ; Storage Conditions: ambient storage; Hazard Codes: H302, H315, H319, H335; GHS Pictograms: GHS07; CAS: 180468-42-2 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 90 | 50 mg | 84.70 | |
| Accel Scientific, S.L. | 20 days | China To: | 90 | 250 mg | 286.00 | |
| Accel Scientific, S.L. | 20 days | China To: | 90 | 1 g | 810.70 | |
Description: (S)-Ethyl-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate; CAS: 180468-42-2 | ||||||
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Substructure Analogs
![Chemical structure of (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate - CSSB00116206880](/st/structure/200/5d5b7e42e1e61a748f7f831bcfe4cd7f/O%253DC%2528O%255BC%2540H%255D1CN2CCC1CC2%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (3S)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate hydrochloride - CSSB00138440319](/st/structure/200/770e8495e782cc9c1afc2e8ee6d48673/Cl.O%253DC%2528O%255BC%2540%2540H%255D1CN2CCC1CC2%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate hydrochloride - CSSB00020619298](/st/structure/200/fc1920840d7cb58d2e2142826e0da8f7/Cl.O%253DC%2528O%255BC%2540H%255D1CN2CC%255BC%2540H%255D1CC2%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate; butanedioic acid - CSSB00016992756](/st/structure/200/610e8133efcaa8d7f83dfd92a97e8996/OC%2528%253DO%2529CCC%2528O%2529%253DO.O%253DC%2528O%255BC%2540H%255D1C%255BN%2540%255D2CCC1CC2%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of 1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate; butanedioic acid - CSSB00016998332](/st/structure/200/eb6757490d0f4ffbe9e12cc5eff4e43f/OC%2528%253DO%2529CCC%2528O%2529%253DO.O%253DC%2528OC1CN2CCC1CC2%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (3R)-3-[(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyloxy]-1-azabicyclo[2.2.2]octan-1-ium-1-olate - CSSB00138558076](/st/structure/200/3d9cd07418aa92a80f63239beb5ea7d2/%255BO-%255D%255BN%252B%255D12CC%255BC%2540%2540H%255D%2528CC1%2529%255BC%2540H%255D%2528C2%2529OC%2528%253DO%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (3R)-3-[(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyloxy]-1-azabicyclo[2.2.2]octan-1-ium-1-olate - CSSB00161190428](/st/structure/200/5e5f0020fcad3a5a3f61bb18013bd37d/%255BO-%255D%255BN%252B%255D12CCC%2528CC1%2529%255BC%2540H%255D%2528C2%2529OC%2528%253DO%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
Similarity Analogs
![Chemical structure of (1S)-1-phenyl-2-[(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline - CSSB02495338085](/st/structure/200/70ec61795d5370506b991c9d6044ad31/O%253DC%2528N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (1S)-1-phenyl-2-[(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline - CSSB00020648921](/st/structure/200/f8c5046ea3ba2c166ae06e381caa00b5/O%253DC%2528N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540%2540H%255D1C1%253DCC%253DCC%253DC1.png)
![Chemical structure of (3S)-1-azabicyclo[2.2.2]octan-3-yl (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate - CSSB00025774142](/st/structure/200/1edc909d77dce31b8ec67ee3817bcd1f/O%253DC%2528O%255BC%2540%2540H%255D1CN2CCC1CC2%2529N1CCC2%253DCC%253DCC%253DC2%255BC%2540H%255D1C1%253DCC%253DCC%253DC1.png)
