4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid
TL;DR: 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid (CAS 652967-65-2) is a chemical compound with molecular formula C13H7Cl2NO4S and molecular weight 342.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dichlorophenyl)sulfanyl-3-nitrobenzoic acid
Also Known As: 4-[(2,5-dichlorophenyl)thio]-3-nitrobenzoic acid, 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid, 4-(2,5-dichlorophenyl)sulfanyl-3-nitrobenzoic acid, 4-(2,5-dichlorophenyl)sulfanyl-3-nitro-benzoic Acid, 4-[(2,5-Dichlorophenyl)sulfanyl]-3-nitrobenzoic acid
| Molecular Formula | C13H7Cl2NO4S |
|---|---|
| Molecular Weight | 342.95 g/mol |
| LogP | 4.751 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.9473 |
| Heavy Atoms | 21 |
| Complexity | 736.1064 |
Chemical Identifiers
| CAS Number | 652967-65-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=C(C=CC(=C2)Cl)Cl |
Product Overview
4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid (CAS 652967-65-2), with molecular formula C13H7Cl2NO4S and molecular weight 342.95 g/mol. IUPAC: 4-(2,5-dichlorophenyl)sulfanyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid
Property Insights of 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid
The XLogP value of 4.751 indicates that 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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-Dichlorophenyl)thio)-3-nitrobenzoic acid?
The CAS number of 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid is 652967-65-2.
What is the molecular formula of 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid?
The molecular formula of 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid is C13H7Cl2NO4S.
What is the molecular weight of 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid?
The molecular weight of 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid is 342.95 g/mol.
Where can I buy 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid?
You can request a quote for 4-((2,5-Dichlorophenyl)thio)-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-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,5-Dichlorophenyl)thio)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.