Pent-1-en-4-yn-3-yl radical
TL;DR: Pent-1-en-4-yn-3-yl radical (CAS 78596-31-3) is a chemical compound with molecular formula C5H5 and molecular weight 65.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 2-penten-4-ynyl, Pent-1-en-4-yn-3-yl radical, pent-1-en-4-yne, 1-Ethynylallyl radical, 1-Vinylpropargylradical
| Molecular Formula | C5H5 |
|---|---|
| Molecular Weight | 65.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 65.03912 |
| Heavy Atoms | 5 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 78596-31-3 |
|---|---|
| SMILES | C=C[CH]C#C |
| InChIKey | MOHCYMPYDWGDHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pent-1-en-4-yn-3-yl radical (CAS 78596-31-3), with molecular formula C5H5 and molecular weight 65.04 g/mol.
Chemical Property Profile of Pent-1-en-4-yn-3-yl radical
Property Insights of Pent-1-en-4-yn-3-yl radical
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pent-1-en-4-yn-3-yl radical. With a topological polar surface area (TPSA) of 0.0 Ų, Pent-1-en-4-yn-3-yl radical exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-1-en-4-yn-3-yl radical 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-en-4-yn-3-yl radical?
The CAS number of Pent-1-en-4-yn-3-yl radical is 78596-31-3.
What is the molecular formula of Pent-1-en-4-yn-3-yl radical?
The molecular formula of Pent-1-en-4-yn-3-yl radical is C5H5.
What is the molecular weight of Pent-1-en-4-yn-3-yl radical?
The molecular weight of Pent-1-en-4-yn-3-yl radical is 65.04 g/mol.
Where can I buy Pent-1-en-4-yn-3-yl radical?
You can request a quote for Pent-1-en-4-yn-3-yl radical directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pent-1-en-4-yn-3-yl radical?
Yes, KEHONG BIO provides custom synthesis services for Pent-1-en-4-yn-3-yl radical and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.