4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL
TL;DR: 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL (CAS 67460-90-6) is a chemical compound with molecular formula C19H20O2 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-(4-phenoxyphenyl)pent-1-yn-3-ol
Also Known As: 4,4-dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-ol, 4,4-dimethyl-3-(4-phenoxyphenyl)pent-1-yn-3-ol, 665-406-8, RefChem:507411
| Molecular Formula | C19H20O2 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | 4.3458 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.14633 |
| Heavy Atoms | 21 |
| Complexity | 630.00684 |
Chemical Identifiers
| CAS Number | 67460-90-6 |
|---|---|
| SMILES | CC(C)(C)C(C#C)(C1=CC=C(C=C1)OC2=CC=CC=C2)O |
Product Overview
4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL (CAS 67460-90-6), with molecular formula C19H20O2 and molecular weight 280.15 g/mol. IUPAC: 4,4-dimethyl-3-(4-phenoxyphenyl)pent-1-yn-3-ol.
Chemical Property Profile of 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL
Property Insights of 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL
The XLogP value of 4.3458 indicates that 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.46 Ų, 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL has 1 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 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL?
The CAS number of 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL is 67460-90-6.
What is the molecular formula of 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL?
The molecular formula of 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL is C19H20O2.
What is the molecular weight of 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL?
The molecular weight of 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL is 280.15 g/mol.
Where can I buy 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL?
You can request a quote for 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-(4-phenoxyphenyl)-1-pentyn-3-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.