3-Fluoro-4'-(methylthio)benzhydrol
TL;DR: 3-Fluoro-4'-(methylthio)benzhydrol (CAS 844683-72-3) is a chemical compound with molecular formula C14H13FOS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl)-(4-methylsulfanylphenyl)methanol
Also Known As: 3-Fluoro-4'-(methylthio)benzhydrol, (3-fluorophenyl)-(4-methylsulfanylphenyl)methanol, 3,5-Dimethyl-3'-fluorobenzhydrol, (3-fluorophenyl)[4-(methylsulfanyl)phenyl]methanol, (3-fluoro-phenyl)-(4-methylsulfanyl-phenyl)-methanol
| Molecular Formula | C14H13FOS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 3.6293 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06711 |
| Heavy Atoms | 17 |
| Complexity | 495.83032 |
Chemical Identifiers
| CAS Number | 844683-72-3 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)O |
Product Overview
3-Fluoro-4'-(methylthio)benzhydrol (CAS 844683-72-3), with molecular formula C14H13FOS and molecular weight 248.07 g/mol. IUPAC: (3-fluorophenyl)-(4-methylsulfanylphenyl)methanol.
Chemical Property Profile of 3-Fluoro-4'-(methylthio)benzhydrol
Property Insights of 3-Fluoro-4'-(methylthio)benzhydrol
The XLogP value of 3.6293 indicates that 3-Fluoro-4'-(methylthio)benzhydrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Fluoro-4'-(methylthio)benzhydrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4'-(methylthio)benzhydrol 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 3-Fluoro-4'-(methylthio)benzhydrol?
The CAS number of 3-Fluoro-4'-(methylthio)benzhydrol is 844683-72-3.
What is the molecular formula of 3-Fluoro-4'-(methylthio)benzhydrol?
The molecular formula of 3-Fluoro-4'-(methylthio)benzhydrol is C14H13FOS.
What is the molecular weight of 3-Fluoro-4'-(methylthio)benzhydrol?
The molecular weight of 3-Fluoro-4'-(methylthio)benzhydrol is 248.07 g/mol.
Where can I buy 3-Fluoro-4'-(methylthio)benzhydrol?
You can request a quote for 3-Fluoro-4'-(methylthio)benzhydrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4'-(methylthio)benzhydrol?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4'-(methylthio)benzhydrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.