Structure Info
- Chemspace ID
- CSCS06256034574 (Synthesis)
- IUPAC Name
- N-(3-chloro-4-fluorophenyl)-6-(2-{5,8-dioxa-10-azadispiro[2.0.4⁴.3³]undecan-10-yl}ethoxy)-7-methoxyquinazolin-4-amine hydrochloride
- Mol formula
- C25H27Cl2FN4O4
- Mol weight
- 537 Da
- Catalog Number(s)
- HY-101820A, T39019
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.6
- Heavy atoms count
- 36
- Rotatable bond count
- 7
- Number of rings
- 6
- Carbon bond saturation, Fsp3
- 0.44
- Polar surface area (Å)
- 78
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS06256034574
Items Overall 3 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Targetmol Chemicals Inc | 30 days | United States To: | 90 | 5 mg | 970 | |
Description: Simotinib hydrochloride is a selective and orally bioavailable EGFR tyrosine kinase inhibitor, showing strong specificity with an IC 50 of 19.9 nM. This compound exhibits potent antineoplastic activities.; CAS: 1538617-88-7 | ||||||
| MedChemExpress | TBD | United States To: | 90 | 1 mg | POA | |
Description: Names: Simotinib (hydrochloride); Product Description: Simotinib hydrochloride is a selective, specific, and orally bioavailable EGFR tyrosine kinase inhibitor, with an IC 50 of 19.9 nM. Antineoplastic activities .; Target: EGFR; CAS: 1538617-88-7 | ||||||
| MedChemExpress EU | TBD | Sweden To: | 90 | 1 mg | POA | |
Description: Names: Simotinib (hydrochloride); Product Description: Simotinib hydrochloride is a selective, specific, and orally bioavailable EGFR tyrosine kinase inhibitor, with an IC50 of 19.9 nM. Antineoplastic activities; Target: EGFR; CAS: 1538617-88-7 | ||||||
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