![4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid structure](/static/products/7937/793727-96-5.webp)
4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid
TL;DR: 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid (CAS 793727-96-5) 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-[(2,4-dichlorophenyl)sulfanylmethyl]benzoic acid
Also Known As: 4-{[(2,4-dichlorophenyl)thio]methyl}benzoic acid, 4-([(2,4-DICHLOROPHENYL)THIO]METHYL)BENZOIC ACID, 4-[(2,4-dichlorophenyl)sulfanylmethyl]benzoic Acid, AB01317468-02, 4-{[(2,4-DICHLOROPHENYL)SULFANYL]METHYL}BENZOIC ACID
| Molecular Formula | C14H10Cl2O2S |
|---|---|
| Molecular Weight | 311.98 g/mol |
| LogP | 4.9839 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.97784 |
| Heavy Atoms | 19 |
| Complexity | 596.895 |
Chemical Identifiers
| CAS Number | 793727-96-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C(C=C(C=C2)Cl)Cl)C(=O)O |
Product Overview
4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid (CAS 793727-96-5), with molecular formula C14H10Cl2O2S and molecular weight 311.98 g/mol. IUPAC: 4-[(2,4-dichlorophenyl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid
Property Insights of 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid
The XLogP value of 4.9839 indicates that 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid has 1 hydrogen bond donor(s) and 2 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-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid?
The CAS number of 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid is 793727-96-5.
What is the molecular formula of 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid?
The molecular formula of 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid is C14H10Cl2O2S.
What is the molecular weight of 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid?
The molecular weight of 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid is 311.98 g/mol.
Where can I buy 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid?
You can request a quote for 4-{[(2,4-Dichlorophenyl)thio]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-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2,4-Dichlorophenyl)thio]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.