4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid
TL;DR: 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid (CAS 219930-07-1) is a chemical compound with molecular formula C15H12ClNO6S and molecular weight 369.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid
Also Known As: Maybridge1_001272, 4-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid, 4-[(4-CHLORO-2,5-DIMETHYLPHENYL)SULFONYL!-3-NITROBENZOIC ACID, 4-[(4-CHLORO-2,5-DIMETHYLPHENYL)SULFONYL]-3-NITROBENZOIC ACID, 4-(4-Chloro-2,5-dimethylbenzene-1-sulfonyl)-3-nitrobenzoic acid
| Molecular Formula | C15H12ClNO6S |
|---|---|
| Molecular Weight | 369.01 g/mol |
| LogP | 3.39604 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0074 |
| Heavy Atoms | 24 |
| Complexity | 968.16986 |
Chemical Identifiers
| CAS Number | 219930-07-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid (CAS 219930-07-1), with molecular formula C15H12ClNO6S and molecular weight 369.01 g/mol. IUPAC: 4-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid
Property Insights of 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid
The XLogP value of 3.39604 indicates that 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic 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 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid?
The CAS number of 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid is 219930-07-1.
What is the molecular formula of 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid?
The molecular formula of 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid is C15H12ClNO6S.
What is the molecular weight of 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid?
The molecular weight of 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid is 369.01 g/mol.
Where can I buy 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid?
You can request a quote for 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-2,5-dimethylphenyl)sulfonyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.