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Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate
TL;DR: Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate (CAS 418798-71-7) is a chemical compound with molecular formula C21H19NO4S and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[benzenesulfonyl(benzyl)amino]benzoate
Also Known As: methyl 2-[benzyl(phenylsulfonyl)amino]benzoate, methyl 2-[benzenesulfonyl(benzyl)amino]benzoate, BIM-0000282.P001, Methyl 2-benzyl(phenylsulfonyl)aminobenzoate, methyl2-[benzyl(phenylsulfonyl)amino]benzoate
| Molecular Formula | C21H19NO4S |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 3.8687 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1035 |
| Heavy Atoms | 27 |
| Complexity | 1018.31683 |
Chemical Identifiers
| CAS Number | 418798-71-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate (CAS 418798-71-7), with molecular formula C21H19NO4S and molecular weight 381.10 g/mol. IUPAC: methyl 2-[benzenesulfonyl(benzyl)amino]benzoate.
Chemical Property Profile of Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate
Property Insights of Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate
The XLogP value of 3.8687 indicates that Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate 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-[benzyl(phenylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate 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-[benzyl(phenylsulfonyl)amino]benzoate?
The CAS number of Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate is 418798-71-7.
What is the molecular formula of Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate?
The molecular formula of Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate is C21H19NO4S.
What is the molecular weight of Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate?
The molecular weight of Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate is 381.10 g/mol.
Where can I buy Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate?
You can request a quote for Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[benzyl(phenylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.