(3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
TL;DR: (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid (CAS 159156-84-0) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
Also Known As: Baclofen Impurity 41, 3-(p-chlorophenyl)glutaramide, 4-carbamoyl-3-(4-chlorophenyl)butanoic Acid, (3S)-4-carbamoyl-3-(4-chlorophenyl)butanoic acid, (S)-3-(4-Chlorophenyl)-5-amino-5-oxovaleric acid
| Molecular Formula | C11H12ClNO3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05057 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 159156-84-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H](CC(=O)N)CC(=O)O)Cl |
| InChIKey | NLCJVRPOYTZTMS-QMMMGPOBSA-N |
Product Overview
(3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid (CAS 159156-84-0), with molecular formula C11H12ClNO3 and molecular weight 241.05 g/mol. IUPAC: (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid.
Chemical Property Profile of (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
Property Insights of (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid. Following Lipinski's Rule of Five, (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid has 2 hydrogen bond donor(s) and 3 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 (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
The CAS number of (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid is 159156-84-0.
What is the molecular formula of (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
The molecular formula of (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid is C11H12ClNO3.
What is the molecular weight of (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
The molecular weight of (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid is 241.05 g/mol.
Where can I buy (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
You can request a quote for (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.