三氟甲基乙炔甲醇
TL;DR: 三氟甲基乙炔甲醇 (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.
三氟甲基乙炔甲醇
(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
三氟甲基乙炔甲醇 (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 三氟甲基乙炔甲醇
Property Insights of 三氟甲基乙炔甲醇
The XLogP value of 4.6 indicates that 三氟甲基乙炔甲醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 三氟甲基乙炔甲醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟甲基乙炔甲醇 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 三氟甲基乙炔甲醇?
The CAS number of 三氟甲基乙炔甲醇 is 128496-66-2.
What is the molecular formula of 三氟甲基乙炔甲醇?
The molecular formula of 三氟甲基乙炔甲醇 is C19H21F3O2.
What is the molecular weight of 三氟甲基乙炔甲醇?
The molecular weight of 三氟甲基乙炔甲醇 is 338.15 g/mol.
Where can I buy 三氟甲基乙炔甲醇?
You can request a quote for 三氟甲基乙炔甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟甲基乙炔甲醇?
Yes, KEHONG BIO provides custom synthesis services for 三氟甲基乙炔甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.