(2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid
TL;DR: (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid (CAS 296266-36-9) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid
Also Known As: (Styrylsulfonyl)-l-valine, BAS 00355092, (2S)-3-METHYL-2-(2-PHENYLETHENESULFONAMIDO)BUTANOIC ACID, (2S)-3-methyl-2-({[2-phenylvinyl]sulfonyl}amino)butanoic acid, (2s)-3-methyl-2-(([2-phenylvinyl]sulfonyl)amino)butanoic acid
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 296266-36-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NS(=O)(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | ZGJMBMFAJNOKNF-BCPZQOPPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid (CAS 296266-36-9), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid.
Chemical Property Profile of (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid
Property Insights of (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid. Following Lipinski's Rule of Five, (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid has 2 hydrogen bond donor(s) and 5 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 (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid?
The CAS number of (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid is 296266-36-9.
What is the molecular formula of (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid?
The molecular formula of (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid is C13H17NO4S.
What is the molecular weight of (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid?
The molecular weight of (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid is 283.09 g/mol.
Where can I buy (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid?
You can request a quote for (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-Methyl-2-(2-phenylethenesulfonamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.