N-(Phenylmethanesulfonyl)valine
TL;DR: N-(Phenylmethanesulfonyl)valine (CAS 6973-28-0) 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.
2-(benzylsulfonylamino)-3-methylbutanoic acid
Also Known As: N-(Phenylmethanesulfonyl)valine, 2-(benzylsulfonylamino)-3-methylbutanoic acid, 2-(benzylsulfonylamino)-3-methyl-butanoic Acid, 2-[(BENZYLSULFONYL)AMINO]-3-METHYLBUTANOIC ACID
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.2152 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 496.0685 |
Chemical Identifiers
| CAS Number | 6973-28-0 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1 |
Product Overview
N-(Phenylmethanesulfonyl)valine (CAS 6973-28-0), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 2-(benzylsulfonylamino)-3-methylbutanoic acid.
Chemical Property Profile of N-(Phenylmethanesulfonyl)valine
Property Insights of N-(Phenylmethanesulfonyl)valine
The XLogP value of 1.2152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Phenylmethanesulfonyl)valine. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Phenylmethanesulfonyl)valine. Following Lipinski's Rule of Five, N-(Phenylmethanesulfonyl)valine has 2 hydrogen bond donor(s) and 3 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-(Phenylmethanesulfonyl)valine?
The CAS number of N-(Phenylmethanesulfonyl)valine is 6973-28-0.
What is the molecular formula of N-(Phenylmethanesulfonyl)valine?
The molecular formula of N-(Phenylmethanesulfonyl)valine is C12H17NO4S.
What is the molecular weight of N-(Phenylmethanesulfonyl)valine?
The molecular weight of N-(Phenylmethanesulfonyl)valine is 271.09 g/mol.
Where can I buy N-(Phenylmethanesulfonyl)valine?
You can request a quote for N-(Phenylmethanesulfonyl)valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Phenylmethanesulfonyl)valine?
Yes, KEHONG BIO provides custom synthesis services for N-(Phenylmethanesulfonyl)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.