1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-
TL;DR: 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)- (CAS 99566-37-7) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] acetate
Also Known As: 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-, [(E)-2-methyl-1-phenyl-pent-1-en-4-yn-3-yl] Acetate, [(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] acetate
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 2.6548 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 423.7986 |
Chemical Identifiers
| CAS Number | 99566-37-7 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C(C#C)OC(=O)C |
Product Overview
1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)- (CAS 99566-37-7), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: [(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] acetate.
Chemical Property Profile of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-
Property Insights of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-
The XLogP value of 2.6548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (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-, acetate, (E)- has 0 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 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-?
The CAS number of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)- is 99566-37-7.
What is the molecular formula of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-?
The molecular formula of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)- is C14H14O2.
What is the molecular weight of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-?
The molecular weight of 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)- is 214.10 g/mol.
Where can I buy 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)-?
You can request a quote for 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (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-, acetate, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-4-yn-3-ol, 2-methyl-1-phenyl-, acetate, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.