4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one
TL;DR: 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one (CAS 15495-23-5) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-methyl-1-phenylpent-1-yn-3-one
Also Known As: 2-hydroxy-2-methyl-5-phenylpent-4-yn-3-one, 4-hydroxy-4-methyl-1-phenylpent-1-yn-3-one, 4-Methyl-4-hydroxy-1-phenyl-1-pentyn-3-one, 1-Phenyl-4-methyl-4-hydroxy-1-pentyne-3-one, 4-hydroxy-4-methyl-1-phenyl-pent-1-yn-3-one
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 1.3781 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 374.26813 |
Chemical Identifiers
| CAS Number | 15495-23-5 |
|---|---|
| SMILES | CC(C)(C(=O)C#CC1=CC=CC=C1)O |
Product Overview
4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one (CAS 15495-23-5), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 4-hydroxy-4-methyl-1-phenylpent-1-yn-3-one.
Chemical Property Profile of 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one
Property Insights of 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one
The XLogP value of 1.3781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one 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-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one?
The CAS number of 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one is 15495-23-5.
What is the molecular formula of 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one?
The molecular formula of 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one is C12H12O2.
What is the molecular weight of 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one?
The molecular weight of 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one is 188.08 g/mol.
Where can I buy 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one?
You can request a quote for 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-methyl-1-phenylpent-1-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.