4-Pentamethylbenzenesulfonamidobenzoic acid
TL;DR: 4-Pentamethylbenzenesulfonamidobenzoic acid (CAS 790272-45-6) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid
Also Known As: 4-pentamethylbenzenesulfonamidobenzoic acid, 4-{[(pentamethylphenyl)sulfonyl]amino}benzoic acid, 4-pentamethylbenzenesulfonamidobenzoicacid, 4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic Acid, 4-(2,3,4,5,6-PENTAMETHYLBENZENESULFONAMIDO)BENZOIC ACID
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.7277 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 884.0203 |
Chemical Identifiers
| CAS Number | 790272-45-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C)C |
Product Overview
4-Pentamethylbenzenesulfonamidobenzoic acid (CAS 790272-45-6), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: 4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 4-Pentamethylbenzenesulfonamidobenzoic acid
Property Insights of 4-Pentamethylbenzenesulfonamidobenzoic acid
The XLogP value of 3.7277 indicates that 4-Pentamethylbenzenesulfonamidobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pentamethylbenzenesulfonamidobenzoic acid. Following Lipinski's Rule of Five, 4-Pentamethylbenzenesulfonamidobenzoic 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 4-Pentamethylbenzenesulfonamidobenzoic acid?
The CAS number of 4-Pentamethylbenzenesulfonamidobenzoic acid is 790272-45-6.
What is the molecular formula of 4-Pentamethylbenzenesulfonamidobenzoic acid?
The molecular formula of 4-Pentamethylbenzenesulfonamidobenzoic acid is C18H21NO4S.
What is the molecular weight of 4-Pentamethylbenzenesulfonamidobenzoic acid?
The molecular weight of 4-Pentamethylbenzenesulfonamidobenzoic acid is 347.12 g/mol.
Where can I buy 4-Pentamethylbenzenesulfonamidobenzoic acid?
You can request a quote for 4-Pentamethylbenzenesulfonamidobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentamethylbenzenesulfonamidobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentamethylbenzenesulfonamidobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.