4-(Benzylsulfanyl)benzoic acid
TL;DR: 4-(Benzylsulfanyl)benzoic acid (CAS 22855-95-4) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanylbenzoic acid
Also Known As: 4-(benzylsulfanyl)benzoic acid, 4-(benzylthio)benzoic acid, 4-benzylsulfanylbenzoic acid, 4-(benzylthio)benzoicacid, Benzoic acid, 4-[(phenylmethyl)thio]-
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 22855-95-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=C(C=C2)C(=O)O |
| InChIKey | BIGZCUUCDAVUIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Benzylsulfanyl)benzoic acid (CAS 22855-95-4), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: 4-benzylsulfanylbenzoic acid.
Chemical Property Profile of 4-(Benzylsulfanyl)benzoic acid
Property Insights of 4-(Benzylsulfanyl)benzoic acid
The XLogP value of 3.5 indicates that 4-(Benzylsulfanyl)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-(Benzylsulfanyl)benzoic acid. Following Lipinski's Rule of Five, 4-(Benzylsulfanyl)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-(Benzylsulfanyl)benzoic acid?
The CAS number of 4-(Benzylsulfanyl)benzoic acid is 22855-95-4.
What is the molecular formula of 4-(Benzylsulfanyl)benzoic acid?
The molecular formula of 4-(Benzylsulfanyl)benzoic acid is C14H12O2S.
What is the molecular weight of 4-(Benzylsulfanyl)benzoic acid?
The molecular weight of 4-(Benzylsulfanyl)benzoic acid is 244.06 g/mol.
Where can I buy 4-(Benzylsulfanyl)benzoic acid?
You can request a quote for 4-(Benzylsulfanyl)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-(Benzylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.