4-Fluoro-3-methylthiophenol
TL;DR: 4-Fluoro-3-methylthiophenol (CAS 84582-23-0) is a chemical compound with molecular formula C24H36O10 and molecular weight 484.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)-6-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxan-3-yl] acetate
Also Known As: 4-Fluoro-3-methylthiophenol, (+-)-alpha-Terpineol-2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside, beta-D-Glucopyranoside, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl, tetraacetate, [ -3,4,5-triacetyloxy-6- -2-[2- propan-2-yl]oxan-2-yl]acetate, [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)-6-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxan-3-yl] acetate
| Molecular Formula | C24H36O10 |
|---|---|
| Molecular Weight | 484.23 g/mol |
| LogP | 2.2046 |
| Topological Polar Surface Area | 134.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.23083 |
| Heavy Atoms | 34 |
| Complexity | 831.6103 |
Chemical Identifiers
| CAS Number | 84582-23-0 |
|---|---|
| SMILES | CC1=CCC(CC1)C(C)(C)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
4-Fluoro-3-methylthiophenol (CAS 84582-23-0), with molecular formula C24H36O10 and molecular weight 484.23 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)-6-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxan-3-yl] acetate.
Chemical Property Profile of 4-Fluoro-3-methylthiophenol
Property Insights of 4-Fluoro-3-methylthiophenol
The XLogP value of 2.2046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-methylthiophenol. The TPSA of 134.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-3-methylthiophenol. Following Lipinski's Rule of Five, 4-Fluoro-3-methylthiophenol has 1 hydrogen bond donor(s) and 10 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-Fluoro-3-methylthiophenol?
The CAS number of 4-Fluoro-3-methylthiophenol is 84582-23-0.
What is the molecular formula of 4-Fluoro-3-methylthiophenol?
The molecular formula of 4-Fluoro-3-methylthiophenol is C24H36O10.
What is the molecular weight of 4-Fluoro-3-methylthiophenol?
The molecular weight of 4-Fluoro-3-methylthiophenol is 484.23 g/mol.
Where can I buy 4-Fluoro-3-methylthiophenol?
You can request a quote for 4-Fluoro-3-methylthiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3-methylthiophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-methylthiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.