![2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid structure](/static/products/6958/6958-31-2.webp)
2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid
TL;DR: 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid (CAS 6958-31-2) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfonylamino)-4-methylpentanoic acid
Also Known As: N-(Phenylmethanesulfonyl)leucine, 2-[(benzylsulfonyl)amino]-4-methylpentanoic acid, Leucine,n-(benzylsulfonyl)-, d-(8ci), 2-(benzylsulfonylamino)-4-methylpentanoic acid, 2-(Benzylsulfonylamino)-4-methyl-pentanoic acid
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 6958-31-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | SXWRIQLFHIQDFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid (CAS 6958-31-2), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 2-(benzylsulfonylamino)-4-methylpentanoic acid.
Chemical Property Profile of 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid
Property Insights of 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid. Following Lipinski's Rule of Five, 2-[(Benzylsulfonyl)amino]-4-methylpentanoic 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 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid?
The CAS number of 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid is 6958-31-2.
What is the molecular formula of 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid?
The molecular formula of 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid is C13H19NO4S.
What is the molecular weight of 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid?
The molecular weight of 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid is 285.10 g/mol.
Where can I buy 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid?
You can request a quote for 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.