![Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- structure](/static/products/4156/41566-97-6.webp)
Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-
TL;DR: Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- (CAS 41566-97-6) is a chemical compound with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-4-(4-chloroanilino)-4-oxobutanoic acid
Also Known As: N-(4-Chlorophenyl)-L-alpha-asparagine, SDCCGMLS-0065601.P001, (3S)-3-amino-4-(4-chloroanilino)-4-oxobutanoic acid, Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-
| Molecular Formula | C10H11ClN2O3 |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 1.0805 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.04582 |
| Heavy Atoms | 16 |
| Complexity | 391.55554 |
Chemical Identifiers
| CAS Number | 41566-97-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)[C@H](CC(=O)O)N)Cl |
Product Overview
Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- (CAS 41566-97-6), with molecular formula C10H11ClN2O3 and molecular weight 242.05 g/mol. IUPAC: (3S)-3-amino-4-(4-chloroanilino)-4-oxobutanoic acid.
Chemical Property Profile of Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-
Property Insights of Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-
The XLogP value of 1.0805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-. Following Lipinski's Rule of Five, Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- has 3 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 Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-?
The CAS number of Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- is 41566-97-6.
What is the molecular formula of Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-?
The molecular formula of Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- is C10H11ClN2O3.
What is the molecular weight of Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-?
The molecular weight of Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- is 242.05 g/mol.
Where can I buy Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-?
You can request a quote for Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-amino-4-[(4-chlorophenyl)amino]-4-oxo-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.