1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-
TL;DR: 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- (CAS 99566-38-8) is a chemical compound with molecular formula C12H12O and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,3R)-2-methyl-1-phenylpent-1-en-4-yn-3-ol
Also Known As: 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-, (E,3R)-2-methyl-1-phenylpent-1-en-4-yn-3-ol, (E,3S)-2-methyl-1-phenyl-pent-1-en-4-yn-3-ol
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 2.084 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 329.89215 |
Chemical Identifiers
| CAS Number | 99566-38-8 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/[C@@H](C#C)O |
Product Overview
1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- (CAS 99566-38-8), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: (E,3R)-2-methyl-1-phenylpent-1-en-4-yn-3-ol.
Chemical Property Profile of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-
Property Insights of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-
The XLogP value of 2.084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- 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 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-?
The CAS number of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- is 99566-38-8.
What is the molecular formula of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-?
The molecular formula of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- is C12H12O.
What is the molecular weight of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-?
The molecular weight of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- is 172.09 g/mol.
Where can I buy 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-?
You can request a quote for 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, (R-(E))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.