Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate
TL;DR: Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate (CAS 418804-73-6) is a chemical compound with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate
Also Known As: Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate, BAS 00550514, methyl 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate, glycine, N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)-, methyl ester, METHYL 2-[N-(5-CHLORO-2-METHYLPHENYL)BENZENESULFONAMIDO]ACETATE
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 3.01672 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 806.0849 |
Chemical Identifiers
| CAS Number | 418804-73-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate (CAS 418804-73-6), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate.
Chemical Property Profile of Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate
Property Insights of Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate
The XLogP value of 3.01672 indicates that Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate. Following Lipinski's Rule of Five, Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate 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-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate?
The CAS number of Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate is 418804-73-6.
What is the molecular formula of Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate?
The molecular formula of Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate is C16H16ClNO4S.
What is the molecular weight of Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate?
The molecular weight of Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate is 353.05 g/mol.
Where can I buy Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate?
You can request a quote for Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(5-chloro-2-methylphenyl)-N-(phenylsulfonyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.