3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid
TL;DR: 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid (CAS 34308-77-5) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid
Also Known As: 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid, methyl 3-bromobenzothiophene-2-carboxylate, 3-{(3-methoxyphenyl)[(4-methylphenyl)sulfonyl]amino}butanoic acid, 3-[N-(3-Methoxyphenyl)-4-methylbenzene-1-sulfonamido]butanoic acid, Butanoic acid,3-[(3-methoxyphenyl)[(4-methylphenyl)sulfonyl]amino]-
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 34308-77-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)OC)C(C)CC(=O)O |
| InChIKey | CCUZSIKHUAWBJV-UHFFFAOYSA-N |
Product Overview
3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid (CAS 34308-77-5), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid.
Chemical Property Profile of 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid
Property Insights of 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid. Following Lipinski's Rule of Five, 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid has 1 hydrogen bond donor(s) and 6 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-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid?
The CAS number of 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid is 34308-77-5.
What is the molecular formula of 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid?
The molecular formula of 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid is C18H21NO5S.
What is the molecular weight of 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid?
The molecular weight of 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid is 363.11 g/mol.
Where can I buy 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid?
You can request a quote for 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)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-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.