![N-[(4-methylphenyl)sulfonyl]isoleucine structure](/static/products/879/879876-90-1.png)
N-[(4-methylphenyl)sulfonyl]isoleucine
TL;DR: N-[(4-methylphenyl)sulfonyl]isoleucine (CAS 879876-90-1) 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.
3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
Also Known As: N-[(4-methylphenyl)sulfonyl]isoleucine, Isoleucine, N-[(4-methylphenyl)sulfonyl]-, 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid, N-(4-Methylbenzene-1-sulfonyl)isoleucine, L-Isoleucine,N-[(4-methylphenyl)sulfonyl]-
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 879876-90-1 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | VPXRIBOJICTEAH-UHFFFAOYSA-N |
Product Overview
N-[(4-methylphenyl)sulfonyl]isoleucine (CAS 879876-90-1), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid.
Chemical Property Profile of N-[(4-methylphenyl)sulfonyl]isoleucine
Property Insights of N-[(4-methylphenyl)sulfonyl]isoleucine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-methylphenyl)sulfonyl]isoleucine. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-methylphenyl)sulfonyl]isoleucine. Following Lipinski's Rule of Five, N-[(4-methylphenyl)sulfonyl]isoleucine 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-[(4-methylphenyl)sulfonyl]isoleucine?
The CAS number of N-[(4-methylphenyl)sulfonyl]isoleucine is 879876-90-1.
What is the molecular formula of N-[(4-methylphenyl)sulfonyl]isoleucine?
The molecular formula of N-[(4-methylphenyl)sulfonyl]isoleucine is C13H19NO4S.
What is the molecular weight of N-[(4-methylphenyl)sulfonyl]isoleucine?
The molecular weight of N-[(4-methylphenyl)sulfonyl]isoleucine is 285.10 g/mol.
Where can I buy N-[(4-methylphenyl)sulfonyl]isoleucine?
You can request a quote for N-[(4-methylphenyl)sulfonyl]isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-methylphenyl)sulfonyl]isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-methylphenyl)sulfonyl]isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.