(3S)-4-methyl-1-phenylpent-1-yn-3-ol
TL;DR: (3S)-4-methyl-1-phenylpent-1-yn-3-ol (CAS 176436-84-3) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-methyl-1-phenylpent-1-yn-3-ol
Also Known As: (3S)-4-methyl-1-phenylpent-1-yn-3-ol, (S)-isopropyl phenylethynyl carbinol, 4-methyl-1-phenylpent-1-yl-3-ol, (S)-1-Phenyl-4-methyl-1-pentyne-3-ol, (3S)-1-Phenyl-4-methyl-1-pentyne-3-ol
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.055 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 302.8915 |
Chemical Identifiers
| CAS Number | 176436-84-3 |
|---|---|
| SMILES | CC(C)[C@@H](C#CC1=CC=CC=C1)O |
Product Overview
(3S)-4-methyl-1-phenylpent-1-yn-3-ol (CAS 176436-84-3), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: (3S)-4-methyl-1-phenylpent-1-yn-3-ol.
Chemical Property Profile of (3S)-4-methyl-1-phenylpent-1-yn-3-ol
Property Insights of (3S)-4-methyl-1-phenylpent-1-yn-3-ol
The XLogP value of 2.055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4-methyl-1-phenylpent-1-yn-3-ol. With a topological polar surface area (TPSA) of 20.23 Ų, (3S)-4-methyl-1-phenylpent-1-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-4-methyl-1-phenylpent-1-yn-3-ol has 1 hydrogen bond donor(s) and 1 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 (3S)-4-methyl-1-phenylpent-1-yn-3-ol?
The CAS number of (3S)-4-methyl-1-phenylpent-1-yn-3-ol is 176436-84-3.
What is the molecular formula of (3S)-4-methyl-1-phenylpent-1-yn-3-ol?
The molecular formula of (3S)-4-methyl-1-phenylpent-1-yn-3-ol is C12H14O.
What is the molecular weight of (3S)-4-methyl-1-phenylpent-1-yn-3-ol?
The molecular weight of (3S)-4-methyl-1-phenylpent-1-yn-3-ol is 174.10 g/mol.
Where can I buy (3S)-4-methyl-1-phenylpent-1-yn-3-ol?
You can request a quote for (3S)-4-methyl-1-phenylpent-1-yn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-4-methyl-1-phenylpent-1-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-methyl-1-phenylpent-1-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.