1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol
TL;DR: 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol (CAS 230295-14-4) is a chemical compound with molecular formula C13H13F3O2 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol
Also Known As: 1,1,1-trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol, 2-Methyl-5-phenyl-6,6,6-trifluorohex-3-yne-2,5-diol, 1,1,1-trifluoro-5-methyl-2-phenyl-hex-3-yne-2,5-diol, 2-Methyl-5-phenyl-6,6,6-trifluorohex-3-yne-2,5-diol, 98%
| Molecular Formula | C13H13F3O2 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.2108 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.08676 |
| Heavy Atoms | 18 |
| Complexity | 462.98532 |
Chemical Identifiers
| CAS Number | 230295-14-4 |
|---|---|
| SMILES | CC(C)(C#CC(C1=CC=CC=C1)(C(F)(F)F)O)O |
Product Overview
1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol (CAS 230295-14-4), with molecular formula C13H13F3O2 and molecular weight 258.09 g/mol. IUPAC: 1,1,1-trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol.
Chemical Property Profile of 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol
Property Insights of 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol
The XLogP value of 2.2108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol has 2 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 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol?
The CAS number of 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol is 230295-14-4.
What is the molecular formula of 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol?
The molecular formula of 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol is C13H13F3O2.
What is the molecular weight of 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol?
The molecular weight of 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol is 258.09 g/mol.
Where can I buy 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol?
You can request a quote for 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol 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-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-5-methyl-2-phenylhex-3-yne-2,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.