4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid
TL;DR: 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid (CAS 413582-76-0) is a chemical compound with molecular formula C14H10Cl2O2S and molecular weight 311.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dichlorophenyl)sulfanylmethyl]benzoic acid
Also Known As: 4-{[(2,5-dichlorophenyl)sulfanyl]methyl}benzoic acid, 4-{[(2,5-dichlorophenyl)thio]methyl}benzoic acid, 4-[[(2,5-dichlorophenyl)thio]methyl]benzoic acid, 4-[(2,5-dichlorophenyl)sulfanylmethyl]benzoic Acid, 4-(((2,5-Dichlorophenyl)thio)methyl)benzoic acid
| Molecular Formula | C14H10Cl2O2S |
|---|---|
| Molecular Weight | 311.98 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.97784 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 413582-76-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C(C=CC(=C2)Cl)Cl)C(=O)O |
| InChIKey | YMBRGRZBAQOBPC-UHFFFAOYSA-N |
Product Overview
4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid (CAS 413582-76-0), with molecular formula C14H10Cl2O2S and molecular weight 311.98 g/mol. IUPAC: 4-[(2,5-dichlorophenyl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid
Property Insights of 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid
The XLogP value of 4.7 indicates that 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid has 1 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-Dichlorophenyl)sulfanyl)methyl)benzoic acid?
The CAS number of 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid is 413582-76-0.
What is the molecular formula of 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid?
The molecular formula of 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid is C14H10Cl2O2S.
What is the molecular weight of 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid?
The molecular weight of 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid is 311.98 g/mol.
Where can I buy 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid?
You can request a quote for 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)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-Dichlorophenyl)sulfanyl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((2,5-Dichlorophenyl)sulfanyl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.