3,5-Bis(trifluoromethyl)phenol
TL;DR: 3,5-Bis(trifluoromethyl)phenol (CAS 349-58-6) is a chemical compound with molecular formula C8H4F6O and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(trifluoromethyl)phenol
Also Known As: 3,5-Bis(trifluoromethyl)phenol, 3,5-Bis phenol, 3,5-di(Trifluoromethyl)phenol, Phenol, 3,5-bis(trifluoromethyl)-, MBT-OH
| Molecular Formula | C8H4F6O |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.01663 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 349-58-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F |
| InChIKey | ODSXJQYJADZFJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(trifluoromethyl)phenol (CAS 349-58-6), with molecular formula C8H4F6O and molecular weight 230.02 g/mol. IUPAC: 3,5-bis(trifluoromethyl)phenol.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)phenol
Property Insights of 3,5-Bis(trifluoromethyl)phenol
The XLogP value of 3.9 indicates that 3,5-Bis(trifluoromethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,5-Bis(trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)phenol has 1 hydrogen bond donor(s) and 7 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 3,5-Bis(trifluoromethyl)phenol?
The CAS number of 3,5-Bis(trifluoromethyl)phenol is 349-58-6.
What is the molecular formula of 3,5-Bis(trifluoromethyl)phenol?
The molecular formula of 3,5-Bis(trifluoromethyl)phenol is C8H4F6O.
What is the molecular weight of 3,5-Bis(trifluoromethyl)phenol?
The molecular weight of 3,5-Bis(trifluoromethyl)phenol is 230.02 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)phenol?
You can request a quote for 3,5-Bis(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.