西拉普利
TL;DR: 西拉普利 (CAS 104013-57-2) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西拉普利
7-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
Also Known As: cilazapril, Cilazapril (monohydrate), CILAZAPRIL MONOHYDRATE, Ro 31-2848 monohydrate, Ro 31-2848
| Molecular Formula | C22H31N3O5 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.22638 |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 104013-57-2 |
|---|---|
| SMILES | CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O |
| InChIKey | HHHKFGXWKKUNCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西拉普利 (CAS 104013-57-2), with molecular formula C22H31N3O5 and molecular weight 417.23 g/mol. IUPAC: 7-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid.
Chemical Property Profile of 西拉普利
Property Insights of 西拉普利
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 西拉普利. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 西拉普利. Following Lipinski's Rule of Five, 西拉普利 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 西拉普利?
The CAS number of 西拉普利 is 104013-57-2.
What is the molecular formula of 西拉普利?
The molecular formula of 西拉普利 is C22H31N3O5.
What is the molecular weight of 西拉普利?
The molecular weight of 西拉普利 is 417.23 g/mol.
Where can I buy 西拉普利?
You can request a quote for 西拉普利 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西拉普利?
Yes, KEHONG BIO provides custom synthesis services for 西拉普利 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.