Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate
TL;DR: Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate (CAS 1008436-64-3) is a chemical compound with molecular formula C11H14ClNO4S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-chloro-N-methylsulfonylanilino)propanoate
Also Known As: Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate, methyl 2-(3-chloro-N-methylsulfonylanilino)propanoate, MethylN-(3-chlorophenyl)-N-(methylsulfonyl)alaninate, alanine, N-(3-chlorophenyl)-N-(methylsulfonyl)-, methyl ester, methyl 2-(3-chloro-N-methylsulfonyl-anilino)propanoate
| Molecular Formula | C11H14ClNO4S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 1.6675 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.0332 |
| Heavy Atoms | 18 |
| Complexity | 543.7291 |
Chemical Identifiers
| CAS Number | 1008436-64-3 |
|---|---|
| SMILES | CC(C(=O)OC)N(C1=CC(=CC=C1)Cl)S(=O)(=O)C |
Product Overview
Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate (CAS 1008436-64-3), with molecular formula C11H14ClNO4S and molecular weight 291.03 g/mol. IUPAC: methyl 2-(3-chloro-N-methylsulfonylanilino)propanoate.
Chemical Property Profile of Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate
Property Insights of Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate
The XLogP value of 1.6675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate. Following Lipinski's Rule of Five, Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate has 0 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 Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate?
The CAS number of Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate is 1008436-64-3.
What is the molecular formula of Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate?
The molecular formula of Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate is C11H14ClNO4S.
What is the molecular weight of Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate?
The molecular weight of Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate is 291.03 g/mol.
Where can I buy Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate?
You can request a quote for Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(3-chlorophenyl)-N-(methylsulfonyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.