Cyanobutadiene
TL;DR: Cyanobutadiene (CAS 59866-32-9) is a chemical compound with molecular formula C5HN and molecular weight 75.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
penta-2,4-diynenitrile
Also Known As: cyanobutadiene, 2,4-pentadiynenitrile, Penta-2,4-diynenitrile, cyanodiacetylene, 1-Cyanobutadiyne
| Molecular Formula | C5HN |
|---|---|
| Molecular Weight | 75.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 75.0109 |
| Heavy Atoms | 6 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 59866-32-9 |
|---|---|
| SMILES | C#CC#CC#N |
| InChIKey | WRARULQOSOCOQD-UHFFFAOYSA-N |
Product Overview
Cyanobutadiene (CAS 59866-32-9), with molecular formula C5HN and molecular weight 75.01 g/mol. IUPAC: penta-2,4-diynenitrile.
Chemical Property Profile of Cyanobutadiene
Property Insights of Cyanobutadiene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanobutadiene. With a topological polar surface area (TPSA) of 23.8 Ų, Cyanobutadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanobutadiene has 0 hydrogen bond donor(s) and 1 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 Cyanobutadiene?
The CAS number of Cyanobutadiene is 59866-32-9.
What is the molecular formula of Cyanobutadiene?
The molecular formula of Cyanobutadiene is C5HN.
What is the molecular weight of Cyanobutadiene?
The molecular weight of Cyanobutadiene is 75.01 g/mol.
Where can I buy Cyanobutadiene?
You can request a quote for Cyanobutadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanobutadiene?
Yes, KEHONG BIO provides custom synthesis services for Cyanobutadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.