![4-[(Cyclohexylthio)methyl]benzoic acid structure](/static/products/3481/348114-34-1.webp)
4-[(Cyclohexylthio)methyl]benzoic acid
TL;DR: 4-[(Cyclohexylthio)methyl]benzoic acid (CAS 348114-34-1) is a chemical compound with molecular formula C14H18O2S and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(cyclohexylsulfanylmethyl)benzoic acid
Also Known As: 4-[(cyclohexylthio)methyl]benzoic acid, ChemDiv3_006162, 4-(cyclohexylsulfanylmethyl)benzoic acid, 4-[(cyclohexylsulfanyl)methyl]benzoic acid, 4-((Cyclohexylthio)methyl)benzoic acid
| Molecular Formula | C14H18O2S |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 3.9507 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.10275 |
| Heavy Atoms | 17 |
| Complexity | 366.31354 |
Chemical Identifiers
| CAS Number | 348114-34-1 |
|---|---|
| SMILES | C1CCC(CC1)SCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[(Cyclohexylthio)methyl]benzoic acid (CAS 348114-34-1), with molecular formula C14H18O2S and molecular weight 250.10 g/mol. IUPAC: 4-(cyclohexylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 4-[(Cyclohexylthio)methyl]benzoic acid
Property Insights of 4-[(Cyclohexylthio)methyl]benzoic acid
The XLogP value of 3.9507 indicates that 4-[(Cyclohexylthio)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-[(Cyclohexylthio)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Cyclohexylthio)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-[(Cyclohexylthio)methyl]benzoic acid?
The CAS number of 4-[(Cyclohexylthio)methyl]benzoic acid is 348114-34-1.
What is the molecular formula of 4-[(Cyclohexylthio)methyl]benzoic acid?
The molecular formula of 4-[(Cyclohexylthio)methyl]benzoic acid is C14H18O2S.
What is the molecular weight of 4-[(Cyclohexylthio)methyl]benzoic acid?
The molecular weight of 4-[(Cyclohexylthio)methyl]benzoic acid is 250.10 g/mol.
Where can I buy 4-[(Cyclohexylthio)methyl]benzoic acid?
You can request a quote for 4-[(Cyclohexylthio)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-[(Cyclohexylthio)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Cyclohexylthio)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.