2,3-Butadienenitrile
TL;DR: 2,3-Butadienenitrile (CAS 1001-56-5) is a chemical compound with molecular formula C=C=CC#N and molecular weight 65.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-2,3-dienenitrile
Also Known As: Cyanoallene, 2,3-butadienenitrile, buta-2,3-dienenitrile, butadiene-nitrile, propadienyl cyanide
| Molecular Formula | C=C=CC#N |
|---|---|
| Molecular Weight | 65.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 65.02655 |
| Heavy Atoms | 5 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 1001-56-5 |
|---|---|
| SMILES | C=C=CC#N |
| InChIKey | IRLQAJPIHBZROB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Butadienenitrile (CAS 1001-56-5), with molecular formula C=C=CC#N and molecular weight 65.03 g/mol. IUPAC: buta-2,3-dienenitrile.
Chemical Property Profile of 2,3-Butadienenitrile
Property Insights of 2,3-Butadienenitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Butadienenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Butadienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Butadienenitrile 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 2,3-Butadienenitrile?
The CAS number of 2,3-Butadienenitrile is 1001-56-5.
What is the molecular formula of 2,3-Butadienenitrile?
The molecular formula of 2,3-Butadienenitrile is C=C=CC#N.
What is the molecular weight of 2,3-Butadienenitrile?
The molecular weight of 2,3-Butadienenitrile is 65.03 g/mol.
Where can I buy 2,3-Butadienenitrile?
You can request a quote for 2,3-Butadienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Butadienenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Butadienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.