![5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid structure](/static/products/7053/70539-47-8.webp)
5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid
TL;DR: 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid (CAS 70539-47-8) 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.
5-[methyl-(4-methylphenyl)sulfonylamino]pentanoic acid
Also Known As: 5-[methyl-(4-methylphenyl)sulfonylamino]pentanoic acid, 5-(N,4-Dimethylbenzene-1-sulfonamido)pentanoic acid, 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 70539-47-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCCC(=O)O |
| InChIKey | GGZJRVUIFMAROO-UHFFFAOYSA-N |
Product Overview
5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid (CAS 70539-47-8), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 5-[methyl-(4-methylphenyl)sulfonylamino]pentanoic acid.
Chemical Property Profile of 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid
Property Insights of 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid. Following Lipinski's Rule of Five, 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic 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 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid?
The CAS number of 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid is 70539-47-8.
What is the molecular formula of 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid?
The molecular formula of 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid is C13H19NO4S.
What is the molecular weight of 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid?
The molecular weight of 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid is 285.10 g/mol.
Where can I buy 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid?
You can request a quote for 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[Methyl(4-methylbenzene-1-sulfonyl)amino]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.