![3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid structure](/static/products/1736/17360-26-8.webp)
3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid
TL;DR: 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid (CAS 17360-26-8) 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-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
Also Known As: N-Methyl-N-[(4-methylphenyl)sulfonyl]valine #, Valine, N-methyl-14C-N-(p-tolylsulfonyl)-, L-, 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid, 3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 17360-26-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(C)C)C(=O)O |
| InChIKey | MJIPUFJDBFFOIL-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid (CAS 17360-26-8), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid.
Chemical Property Profile of 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid
Property Insights of 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid has 1 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 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid?
The CAS number of 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid is 17360-26-8.
What is the molecular formula of 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid?
The molecular formula of 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid is C13H19NO4S.
What is the molecular weight of 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid?
The molecular weight of 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid is 285.10 g/mol.
Where can I buy 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid?
You can request a quote for 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-[methyl-(toluen-4-sulfonyl)-amino]-butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.