16-{2-carboxylato-4-[(prop-2-yn-1-yl)carbamoyl]phenyl}-3-oxa-9λ⁵,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium
Structure Info
- Chemspace ID
- CSSB06645150885 (In-Stock Building Blocks)
- MFCD
- MFCD29912883
- IUPAC Name
- 16-{2-carboxylato-4-[(prop-2-yn-1-yl)carbamoyl]phenyl}-3-oxa-9λ⁵,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium
- Mol formula
- C36H33N3O4
- Mol weight
- 572 Da
- Catalog Number(s)
- ACMA00063223, AP12919, BD01609502, BIPG1925, BP-28916, D598260, HY-D1350, R02-0030, T85494, WLZ1181
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.65
- Heavy atoms count
- 43
- Rotatable bond count
- 4
- Number of rings
- 8
- Carbon bond saturation, Fsp3
- 0.361
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
![Chemical structure of 16-{2-carboxylato-4-[(prop-2-yn-1-yl)carbamoyl]phenyl}-3-oxa-9λ⁵,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium (C36H33N3O4) - CSSB06645150885](/st/structure/200/13140af018e16e997fffd1a9079c753b/%255BO-%255DC%2528%253DO%2529c1cc%2528ccc1C1%253Dc2cc3CCC%255BN%252B%255D4%253Dc3c%2528CCC4%2529c2Oc2c3CCCN4CCCc%2528cc12%2529c34%2529C%2528%253DO%2529NCC%2523C.png "C36H33N3O4")
- Zoom the structure
- CSSB06645150885
Items Overall 4 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Broadpharm | 20 days | United States To: | 90 | 1 mg | 174.90 | |
| Broadpharm | 20 days | United States To: | 90 | 5 mg | 246.40 | |
| Broadpharm | 20 days | United States To: | 90 | 10 mg | 295.90 | |
| Broadpharm | 20 days | United States To: | 90 | 25 mg | 427.90 | |
Description: ROX alkyne, 5-isomer; CAS: 2264016-88-6 | ||||||
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