1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol
TL;DR: 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol (CAS 89619-11-4) is a chemical compound with molecular formula C11H9F3O2 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol
Also Known As: 1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol, 3-Butyn-2-ol, 1,1,1-trifluoro-4-(4-methoxyphenyl)-
| Molecular Formula | C11H9F3O2 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.05547 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 89619-11-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C#CC(C(F)(F)F)O |
| InChIKey | GCAPCQLCSDANQB-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol (CAS 89619-11-4), with molecular formula C11H9F3O2 and molecular weight 230.06 g/mol. IUPAC: 1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol.
Chemical Property Profile of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol
Property Insights of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol has 1 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 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol?
The CAS number of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol is 89619-11-4.
What is the molecular formula of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol?
The molecular formula of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol is C11H9F3O2.
What is the molecular weight of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol?
The molecular weight of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol is 230.06 g/mol.
Where can I buy 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol?
You can request a quote for 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol 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-4-(4-methoxyphenyl)but-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.