Omapatrilat
TL;DR: Omapatrilat (CAS 167305-00-2) is a chemical compound with molecular formula C19H24N2O4S2 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
Also Known As: Omapatrilat, Vanlev, Omapatrilat [USAN], Bms 186716, BMS-186716-01
| Molecular Formula | C19H24N2O4S2 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.11774 |
| Heavy Atoms | 27 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 167305-00-2 |
|---|---|
| SMILES | C1C[C@H](N2[C@H](C1)SCCC(C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O |
| InChIKey | LVRLSYPNFFBYCZ-JFKGFPBSSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Omapatrilat (CAS 167305-00-2), with molecular formula C19H24N2O4S2 and molecular weight 408.12 g/mol. IUPAC: (7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid.
Chemical Property Profile of Omapatrilat
Property Insights of Omapatrilat
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Omapatrilat. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Omapatrilat. Following Lipinski's Rule of Five, Omapatrilat has 3 hydrogen bond donor(s) and 6 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 Omapatrilat?
The CAS number of Omapatrilat is 167305-00-2.
What is the molecular formula of Omapatrilat?
The molecular formula of Omapatrilat is C19H24N2O4S2.
What is the molecular weight of Omapatrilat?
The molecular weight of Omapatrilat is 408.12 g/mol.
Where can I buy Omapatrilat?
You can request a quote for Omapatrilat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Omapatrilat?
Yes, KEHONG BIO provides custom synthesis services for Omapatrilat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.