Omapatrilat metabolite M9
TL;DR: Omapatrilat metabolite M9 (CAS 330589-08-7) is a chemical compound with molecular formula C20H26N2O4S2 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,7S,10aS)-4-[[(2S)-2-methylsulfanyl-3-phenylpropanoyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
Also Known As: Omapatrilat metabolite M9, BMS 198433, (4S,7S,10aS)-Octahydro-4-(((2S)-2-(methylthio)-1-oxo-3-phenylpropyl)amino)-5-oxo-7H-pyrido(2,1-b)(1,3)thiazepine-7-carboxylic acid, 7H-Pyrido(2,1-b)(1,3)thiazepine-7-carboxylic acid, octahydro-4-(((2S)-2-(methylthio)-1-oxo-3-phenylpropyl)amino)-5-oxo-, (4S,7S,10aS)-, (4S,7S,10aS)-4-[[(2S)-2-methylsulfanyl-3-phenylpropanoyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
| Molecular Formula | C20H26N2O4S2 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 2.3742 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1334 |
| Heavy Atoms | 28 |
| Complexity | 715.41705 |
Chemical Identifiers
| CAS Number | 330589-08-7 |
|---|---|
| SMILES | CS[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O |
Product Overview
Omapatrilat metabolite M9 (CAS 330589-08-7), with molecular formula C20H26N2O4S2 and molecular weight 422.13 g/mol. IUPAC: (4S,7S,10aS)-4-[[(2S)-2-methylsulfanyl-3-phenylpropanoyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid.
Chemical Property Profile of Omapatrilat metabolite M9
Property Insights of Omapatrilat metabolite M9
The XLogP value of 2.3742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Omapatrilat metabolite M9. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Omapatrilat metabolite M9. Following Lipinski's Rule of Five, Omapatrilat metabolite M9 has 2 hydrogen bond donor(s) and 5 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 metabolite M9?
The CAS number of Omapatrilat metabolite M9 is 330589-08-7.
What is the molecular formula of Omapatrilat metabolite M9?
The molecular formula of Omapatrilat metabolite M9 is C20H26N2O4S2.
What is the molecular weight of Omapatrilat metabolite M9?
The molecular weight of Omapatrilat metabolite M9 is 422.13 g/mol.
Where can I buy Omapatrilat metabolite M9?
You can request a quote for Omapatrilat metabolite M9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Omapatrilat metabolite M9?
Yes, KEHONG BIO provides custom synthesis services for Omapatrilat metabolite M9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.