Gemopatrilat
TL;DR: Gemopatrilat (CAS 160135-92-2) is a chemical compound with molecular formula C19H26N2O4S and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6S)-2,2-dimethyl-7-oxo-6-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid
Also Known As: Gemopatrilat, Gemopatrilate, Gemopatrilat [USAN], GEMOPATRILATUM, Gemopatrilat [USAN:INN]
| Molecular Formula | C19H26N2O4S |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 1.888 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.16132 |
| Heavy Atoms | 26 |
| Complexity | 662.76276 |
Chemical Identifiers
| CAS Number | 160135-92-2 |
|---|---|
| SMILES | CC1(CCC[C@@H](C(=O)N1CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S)C |
Product Overview
Gemopatrilat (CAS 160135-92-2), with molecular formula C19H26N2O4S and molecular weight 378.16 g/mol. IUPAC: 2-[(6S)-2,2-dimethyl-7-oxo-6-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid.
Chemical Property Profile of Gemopatrilat
Property Insights of Gemopatrilat
The XLogP value of 1.888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gemopatrilat. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Gemopatrilat. Following Lipinski's Rule of Five, Gemopatrilat has 3 hydrogen bond donor(s) and 4 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 Gemopatrilat?
The CAS number of Gemopatrilat is 160135-92-2.
What is the molecular formula of Gemopatrilat?
The molecular formula of Gemopatrilat is C19H26N2O4S.
What is the molecular weight of Gemopatrilat?
The molecular weight of Gemopatrilat is 378.16 g/mol.
Where can I buy Gemopatrilat?
You can request a quote for Gemopatrilat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemopatrilat?
Yes, KEHONG BIO provides custom synthesis services for Gemopatrilat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.