N-(phenylsulfonyl)valine
TL;DR: N-(phenylsulfonyl)valine (CAS 85849-94-1) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid
Also Known As: N-(phenylsulfonyl)valine, Maybridge4_003667, N-(phenylsulfonyl)-L-valine, L-Valine, N-(phenylsulfonyl)-, (2S)-2-benzenesulfonamido-3-methylbutanoic acid
| Molecular Formula | C11H15NO4S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.07217 |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 85849-94-1 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | AGDVYAPPQUVBHB-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(phenylsulfonyl)valine (CAS 85849-94-1), with molecular formula C11H15NO4S and molecular weight 257.07 g/mol. IUPAC: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid.
Chemical Property Profile of N-(phenylsulfonyl)valine
Property Insights of N-(phenylsulfonyl)valine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(phenylsulfonyl)valine. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(phenylsulfonyl)valine. Following Lipinski's Rule of Five, N-(phenylsulfonyl)valine 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 N-(phenylsulfonyl)valine?
The CAS number of N-(phenylsulfonyl)valine is 85849-94-1.
What is the molecular formula of N-(phenylsulfonyl)valine?
The molecular formula of N-(phenylsulfonyl)valine is C11H15NO4S.
What is the molecular weight of N-(phenylsulfonyl)valine?
The molecular weight of N-(phenylsulfonyl)valine is 257.07 g/mol.
Where can I buy N-(phenylsulfonyl)valine?
You can request a quote for N-(phenylsulfonyl)valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(phenylsulfonyl)valine?
Yes, KEHONG BIO provides custom synthesis services for N-(phenylsulfonyl)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.