2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester
TL;DR: 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester (CAS 874813-18-0) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzenesulfonamido)-3-methylbutanoate
Also Known As: methyl N-(phenylsulfonyl)valinate, BIM-0018334.P001, methyl 2-benzenesulfonamido-3-methylbutanoate, methyl 3-methyl-2-[(phenylsulfonyl)amino]butanoate, 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.1625 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 496.0685 |
Chemical Identifiers
| CAS Number | 874813-18-0 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC=C1 |
Product Overview
2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester (CAS 874813-18-0), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: methyl 2-(benzenesulfonamido)-3-methylbutanoate.
Chemical Property Profile of 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester
Property Insights of 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester
The XLogP value of 1.1625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester. Following Lipinski's Rule of Five, 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester has 1 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 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester?
The CAS number of 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester is 874813-18-0.
What is the molecular formula of 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester?
The molecular formula of 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester is C12H17NO4S.
What is the molecular weight of 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester?
The molecular weight of 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester is 271.09 g/mol.
Where can I buy 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester?
You can request a quote for 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzenesulfonylamino-3-methyl-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.