N-(3-chlorophenyl)-N-(methylsulfonyl)alanine
TL;DR: N-(3-chlorophenyl)-N-(methylsulfonyl)alanine (CAS 1008026-74-1) is a chemical compound with molecular formula C10H12ClNO4S and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-N-methylsulfonylanilino)propanoic acid
Also Known As: N-(3-chlorophenyl)-N-(methylsulfonyl)alanine, 2-[N-(3-chlorophenyl)methanesulfonamido]propanoic acid, 2-(3-chloro-N-methylsulfonylanilino)propanoic acid, alanine, N-(3-chlorophenyl)-N-(methylsulfonyl)-, N-(3-chlorophenyl)-N-(methylsulfonyl)-L-alanine
| Molecular Formula | C10H12ClNO4S |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 1.5791 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.01755 |
| Heavy Atoms | 17 |
| Complexity | 528.86237 |
Chemical Identifiers
| CAS Number | 1008026-74-1 |
|---|---|
| SMILES | CC(C(=O)O)N(C1=CC(=CC=C1)Cl)S(=O)(=O)C |
Product Overview
N-(3-chlorophenyl)-N-(methylsulfonyl)alanine (CAS 1008026-74-1), with molecular formula C10H12ClNO4S and molecular weight 277.02 g/mol. IUPAC: 2-(3-chloro-N-methylsulfonylanilino)propanoic acid.
Chemical Property Profile of N-(3-chlorophenyl)-N-(methylsulfonyl)alanine
Property Insights of N-(3-chlorophenyl)-N-(methylsulfonyl)alanine
The XLogP value of 1.5791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chlorophenyl)-N-(methylsulfonyl)alanine. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-N-(methylsulfonyl)alanine. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-N-(methylsulfonyl)alanine has 1 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 N-(3-chlorophenyl)-N-(methylsulfonyl)alanine?
The CAS number of N-(3-chlorophenyl)-N-(methylsulfonyl)alanine is 1008026-74-1.
What is the molecular formula of N-(3-chlorophenyl)-N-(methylsulfonyl)alanine?
The molecular formula of N-(3-chlorophenyl)-N-(methylsulfonyl)alanine is C10H12ClNO4S.
What is the molecular weight of N-(3-chlorophenyl)-N-(methylsulfonyl)alanine?
The molecular weight of N-(3-chlorophenyl)-N-(methylsulfonyl)alanine is 277.02 g/mol.
Where can I buy N-(3-chlorophenyl)-N-(methylsulfonyl)alanine?
You can request a quote for N-(3-chlorophenyl)-N-(methylsulfonyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-N-(methylsulfonyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-N-(methylsulfonyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.