Pent-3-en-1-yne
TL;DR: Pent-3-en-1-yne (CAS 2004-69-5) is a chemical compound with molecular formula CC=CC#C and molecular weight 66.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-3-en-1-yne
Also Known As: pentaynene, pent-3-en-1-yne, Propenylacetylene, 3-Penten-1-yne, (E)-pent-3-en-1-yne
| Molecular Formula | CC=CC#C |
|---|---|
| Molecular Weight | 66.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 66.04695 |
| Heavy Atoms | 5 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 2004-69-5 |
|---|---|
| SMILES | CC=CC#C |
| InChIKey | XAJOPMVSQIBJCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pent-3-en-1-yne (CAS 2004-69-5), with molecular formula CC=CC#C and molecular weight 66.05 g/mol. IUPAC: pent-3-en-1-yne.
Chemical Property Profile of Pent-3-en-1-yne
Property Insights of Pent-3-en-1-yne
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pent-3-en-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, Pent-3-en-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-3-en-1-yne 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-3-en-1-yne?
The CAS number of Pent-3-en-1-yne is 2004-69-5.
What is the molecular formula of Pent-3-en-1-yne?
The molecular formula of Pent-3-en-1-yne is CC=CC#C.
What is the molecular weight of Pent-3-en-1-yne?
The molecular weight of Pent-3-en-1-yne is 66.05 g/mol.
Where can I buy Pent-3-en-1-yne?
You can request a quote for Pent-3-en-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pent-3-en-1-yne?
Yes, KEHONG BIO provides custom synthesis services for Pent-3-en-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.