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methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate
TL;DR: methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate (CAS 331749-97-4) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate
Also Known As: BAS 00550493, BIM-0026838.P001, N-(2-Methylphenyl)-N-(phenylsulfonyl)glycine methyl ester, AB00091487-01, methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.36332 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 756.7251 |
Chemical Identifiers
| CAS Number | 331749-97-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate (CAS 331749-97-4), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate.
Chemical Property Profile of methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate
Property Insights of methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate
The XLogP value of 2.36332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate. Following Lipinski's Rule of Five, methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate 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 2-[N-(benzenesulfonyl)-2-methylanilino]acetate?
The CAS number of methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate is 331749-97-4.
What is the molecular formula of methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate?
The molecular formula of methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate is C16H17NO4S.
What is the molecular weight of methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate?
The molecular weight of methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate is 319.09 g/mol.
Where can I buy methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate?
You can request a quote for methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[N-(benzenesulfonyl)-2-methylanilino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.