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Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate
TL;DR: Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate (CAS 5211-41-6) 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)-3-chloro-4-methylanilino]acetate
Also Known As: CBKinase1_000004, CBKinase1_012404, BAS 00491482, AB00075271-01, METHYL 2-[BENZENESULFONYL-(3-CHLORO-4-METHYL-PHENYL)AMINO]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 | 5211-41-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2)Cl |
Product Overview
Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate (CAS 5211-41-6), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetate.
Chemical Property Profile of Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate
Property Insights of Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate
The XLogP value of 3.01672 indicates that Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate 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 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate. Following Lipinski's Rule of Five, Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]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-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate?
The CAS number of Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate is 5211-41-6.
What is the molecular formula of Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate?
The molecular formula of Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate is C16H16ClNO4S.
What is the molecular weight of Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate?
The molecular weight of Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate is 353.05 g/mol.
Where can I buy Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate?
You can request a quote for Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]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-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[benzenesulfonyl-(3-chloro-4-methyl-phenyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.