4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid
TL;DR: 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid (CAS 690646-14-1) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
Also Known As: 4-(((2,5-dimethylphenyl)sulfonamido)methyl)benzoic acid, 4-(2,5-dimethylphenylsulfonylaminomethyl)benzoic acid, 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic Acid, 4-(([(2,5-DIMETHYLPHENYL)SULFONYL]AMINO)METHYL)BENZOIC ACID, 4-[(2,5-DIMETHYLBENZENESULFONAMIDO)METHYL]BENZOIC ACID
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.48014 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 795.39557 |
Chemical Identifiers
| CAS Number | 690646-14-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid (CAS 690646-14-1), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid.
Chemical Property Profile of 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid
Property Insights of 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid
The XLogP value of 2.48014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid. Following Lipinski's Rule of Five, 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic 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-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid?
The CAS number of 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid is 690646-14-1.
What is the molecular formula of 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid?
The molecular formula of 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid is C16H17NO4S.
What is the molecular weight of 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid?
The molecular weight of 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid is 319.09 g/mol.
Where can I buy 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid?
You can request a quote for 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethylphenylsulfonylaminomethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.