乙烯基乙炔
TL;DR: 乙烯基乙炔 (CAS 689-97-4) is a chemical compound with molecular formula C4H4 and molecular weight 52.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙烯基乙炔
but-1-en-3-yne
Also Known As: Vinylacetylene, Butenyne, Vinyl acetylene, But-1-en-3-yne, 1-BUTEN-3-YNE
| Molecular Formula | C4H4 |
|---|---|
| Molecular Weight | 52.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 52.0313 |
| Heavy Atoms | 4 |
| Complexity | 51.0 |
| Boiling Point | 5.1 °C @ 760 mm Hg |
| Density | 0.7095 @ 0 °C/0 °C |
| Solubility | Sol in benzene |
| Vapor Pressure | 1,350 mm Hg @ 25 °C |
| Refractive Index | 1.4161 @ 1 °C |
Chemical Identifiers
| CAS Number | 689-97-4 |
|---|---|
| SMILES | C=CC#C |
| InChIKey | WFYPICNXBKQZGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙烯基乙炔 (CAS 689-97-4), with molecular formula C4H4 and molecular weight 52.03 g/mol. IUPAC: but-1-en-3-yne.
Chemical Property Profile of 乙烯基乙炔
Property Insights of 乙烯基乙炔
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙烯基乙炔. With a topological polar surface area (TPSA) of 0.0 Ų, 乙烯基乙炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙烯基乙炔 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 乙烯基乙炔?
The CAS number of 乙烯基乙炔 is 689-97-4.
What is the molecular formula of 乙烯基乙炔?
The molecular formula of 乙烯基乙炔 is C4H4.
What is the molecular weight of 乙烯基乙炔?
The molecular weight of 乙烯基乙炔 is 52.03 g/mol.
Where can I buy 乙烯基乙炔?
You can request a quote for 乙烯基乙炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙烯基乙炔?
Yes, KEHONG BIO provides custom synthesis services for 乙烯基乙炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.