1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol
TL;DR: 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol (CAS 57565-54-5) is a chemical compound with molecular formula C10H8F6OS and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-sulfanylphenyl)propan-2-ol
Also Known As: 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol, 1-hydroxy-1-methyl-1H-naphthalen-2-one, 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-sulfanylphenyl)propan-2-ol, C(O)(c1cc(C)ccc1S)(C(F)(F)F)C(F)(F)F, Benzenemethanol, 2-mercapto-5-methyl-.alpha.,.alpha.-bis(trifluoromethyl)-
| Molecular Formula | C10H8F6OS |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.02002 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 57565-54-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | HFCVFXFBFNGDDU-UHFFFAOYSA-N |
Product Overview
1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol (CAS 57565-54-5), with molecular formula C10H8F6OS and molecular weight 290.02 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-sulfanylphenyl)propan-2-ol.
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol
Property Insights of 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol
The XLogP value of 3.6 indicates that 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.2 Ų, 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol has 2 hydrogen bond donor(s) and 8 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 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol?
The CAS number of 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol is 57565-54-5.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol?
The molecular formula of 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol is C10H8F6OS.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol?
The molecular weight of 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol is 290.02 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol?
You can request a quote for 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,3-Hexafluoro-2-(2-mercapto-5-methylphenyl)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.