Trifluoromethylacetylene methyl alcohol
TL;DR: Trifluoromethylacetylene methyl alcohol (CAS 128496-66-2) is a chemical compound with molecular formula C19H21F3O2 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4bR,7R,8aR)-7-methyl-7-[(1R)-4,4,4-trifluoro-1-hydroxybut-2-ynyl]-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol
Also Known As: Tfmama, Trifluoromethylacetylene methyl alcohol, (4br,7r,8ar)-7-methyl-7-[(1r)-4,4,4-trifluoro-1-hydroxybut-2-yn-1-yl]-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol, (4bR,7R,8aR)-7-methyl-7-[(1R)-4,4,4-trifluoro-1-hydroxybut-2-ynyl]-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol, 2-Phenanthrenemethanol,1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-a-(3,3,3-trifluoro-1-propynyl)-, [2a(R*),4aa,10ab]- (9CI)
| Molecular Formula | C19H21F3O2 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.14935 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 128496-66-2 |
|---|---|
| SMILES | C[C@]1(CC[C@@H]2[C@@H](C1)CCC3=C2C=CC(=C3)O)[C@H](C#CC(F)(F)F)O |
| InChIKey | GCEHLIQGBSTENM-NKGKWGDASA-N |
Product Overview
Trifluoromethylacetylene methyl alcohol (CAS 128496-66-2), with molecular formula C19H21F3O2 and molecular weight 338.15 g/mol. IUPAC: (4bR,7R,8aR)-7-methyl-7-[(1R)-4,4,4-trifluoro-1-hydroxybut-2-ynyl]-5,6,8,8a,9,10-hexahydro-4bH-phenanthren-2-ol.
Chemical Property Profile of Trifluoromethylacetylene methyl alcohol
Property Insights of Trifluoromethylacetylene methyl alcohol
The XLogP value of 4.6 indicates that Trifluoromethylacetylene methyl alcohol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Trifluoromethylacetylene methyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoromethylacetylene methyl alcohol has 2 hydrogen bond donor(s) and 5 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 Trifluoromethylacetylene methyl alcohol?
The CAS number of Trifluoromethylacetylene methyl alcohol is 128496-66-2.
What is the molecular formula of Trifluoromethylacetylene methyl alcohol?
The molecular formula of Trifluoromethylacetylene methyl alcohol is C19H21F3O2.
What is the molecular weight of Trifluoromethylacetylene methyl alcohol?
The molecular weight of Trifluoromethylacetylene methyl alcohol is 338.15 g/mol.
Where can I buy Trifluoromethylacetylene methyl alcohol?
You can request a quote for Trifluoromethylacetylene methyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoromethylacetylene methyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for Trifluoromethylacetylene methyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.