2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
TL;DR: 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CAS 71401-76-8) is a chemical compound with molecular formula C10H7BrF6O and molecular weight 335.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Also Known As: 2-(2-bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, C(O)(c1cc(C)ccc1Br)(C(F)(F)F)C(F)(F)F, 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoro-2-propanol, alpha,alpha-Di(trifluoromethyl)(2-bromo-5-methylbenzyl) alcohol, 2-Bromo-alpha,alpha-bis(trifluoromethyl)-5-methylbenzenemethanol
| Molecular Formula | C10H7BrF6O |
|---|---|
| Molecular Weight | 335.96 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.95844 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 71401-76-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Br)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | XTRBSPVVAAOFNE-UHFFFAOYSA-N |
Product Overview
2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CAS 71401-76-8), with molecular formula C10H7BrF6O and molecular weight 335.96 g/mol. IUPAC: 2-(2-bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
Chemical Property Profile of 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Property Insights of 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
The XLogP value of 4.2 indicates that 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol 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 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The CAS number of 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is 71401-76-8.
What is the molecular formula of 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The molecular formula of 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is C10H7BrF6O.
What is the molecular weight of 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The molecular weight of 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is 335.96 g/mol.
Where can I buy 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
You can request a quote for 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromo-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.