Pent-1-yn-3-ene, 4-methyl-3-phenyl-
TL;DR: Pent-1-yn-3-ene, 4-methyl-3-phenyl- (CAS 65050-80-8) is a chemical compound with molecular formula C12H12 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpent-3-en-1-yn-3-ylbenzene
Also Known As: 4-methyl-3-phenylpent-3-en-1-yne, Pent-1-yn-3-ene, 4-methyl-3-phenyl-, 4-methylpent-3-en-1-yn-3-ylbenzene, (1-Ethynyl-2-methyl-1-propenyl)benzene #
| Molecular Formula | C12H12 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0939 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 65050-80-8 |
|---|---|
| SMILES | CC(=C(C#C)C1=CC=CC=C1)C |
| InChIKey | KMTOCKMZARAVFR-UHFFFAOYSA-N |
Product Overview
Pent-1-yn-3-ene, 4-methyl-3-phenyl- (CAS 65050-80-8), with molecular formula C12H12 and molecular weight 156.09 g/mol. IUPAC: 4-methylpent-3-en-1-yn-3-ylbenzene.
Chemical Property Profile of Pent-1-yn-3-ene, 4-methyl-3-phenyl-
Property Insights of Pent-1-yn-3-ene, 4-methyl-3-phenyl-
The XLogP value of 4.1 indicates that Pent-1-yn-3-ene, 4-methyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pent-1-yn-3-ene, 4-methyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-1-yn-3-ene, 4-methyl-3-phenyl- has 0 hydrogen bond donor(s) and 0 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 Pent-1-yn-3-ene, 4-methyl-3-phenyl-?
The CAS number of Pent-1-yn-3-ene, 4-methyl-3-phenyl- is 65050-80-8.
What is the molecular formula of Pent-1-yn-3-ene, 4-methyl-3-phenyl-?
The molecular formula of Pent-1-yn-3-ene, 4-methyl-3-phenyl- is C12H12.
What is the molecular weight of Pent-1-yn-3-ene, 4-methyl-3-phenyl-?
The molecular weight of Pent-1-yn-3-ene, 4-methyl-3-phenyl- is 156.09 g/mol.
Where can I buy Pent-1-yn-3-ene, 4-methyl-3-phenyl-?
You can request a quote for Pent-1-yn-3-ene, 4-methyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pent-1-yn-3-ene, 4-methyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pent-1-yn-3-ene, 4-methyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.