(S)-2-(4-Methylphenylsulfonamido)hexanoic acid
TL;DR: (S)-2-(4-Methylphenylsulfonamido)hexanoic acid (CAS 96789-87-6) 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.
(2S)-2-[(4-methylphenyl)sulfonylamino]hexanoic acid
Also Known As: N-Tosyl-L-norleucine, BAS 00227652, (S)-2-(4-Methylphenylsulfonamido)hexanoic acid, (2S)-2-(4-methylbenzenesulfonamido)hexanoic acid, J1.095.568H
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 1.91672 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 522.0791 |
Chemical Identifiers
| CAS Number | 96789-87-6 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
(S)-2-(4-Methylphenylsulfonamido)hexanoic acid (CAS 96789-87-6), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: (2S)-2-[(4-methylphenyl)sulfonylamino]hexanoic acid.
Chemical Property Profile of (S)-2-(4-Methylphenylsulfonamido)hexanoic acid
Property Insights of (S)-2-(4-Methylphenylsulfonamido)hexanoic acid
The XLogP value of 1.91672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(4-Methylphenylsulfonamido)hexanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(4-Methylphenylsulfonamido)hexanoic acid. Following Lipinski's Rule of Five, (S)-2-(4-Methylphenylsulfonamido)hexanoic acid 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 (S)-2-(4-Methylphenylsulfonamido)hexanoic acid?
The CAS number of (S)-2-(4-Methylphenylsulfonamido)hexanoic acid is 96789-87-6.
What is the molecular formula of (S)-2-(4-Methylphenylsulfonamido)hexanoic acid?
The molecular formula of (S)-2-(4-Methylphenylsulfonamido)hexanoic acid is C13H19NO4S.
What is the molecular weight of (S)-2-(4-Methylphenylsulfonamido)hexanoic acid?
The molecular weight of (S)-2-(4-Methylphenylsulfonamido)hexanoic acid is 285.10 g/mol.
Where can I buy (S)-2-(4-Methylphenylsulfonamido)hexanoic acid?
You can request a quote for (S)-2-(4-Methylphenylsulfonamido)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(4-Methylphenylsulfonamido)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(4-Methylphenylsulfonamido)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.