Crotononitrile
TL;DR: Crotononitrile (CAS 627-26-9) is a chemical compound with molecular formula C4H5N and molecular weight 67.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enenitrile
Also Known As: 2-Butenenitrile, CROTONONITRILE, Crotonitrile, Crotonnitrile, but-2-enenitrile
| Molecular Formula | C4H5N |
|---|---|
| Molecular Weight | 67.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 67.0422 |
| Heavy Atoms | 5 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 627-26-9 |
|---|---|
| SMILES | C/C=C/C#N |
| InChIKey | NKKMVIVFRUYPLQ-NSCUHMNNSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crotononitrile (CAS 627-26-9), with molecular formula C4H5N and molecular weight 67.04 g/mol. IUPAC: (E)-but-2-enenitrile.
Chemical Property Profile of Crotononitrile
Property Insights of Crotononitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotononitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Crotononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotononitrile 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 Crotononitrile?
The CAS number of Crotononitrile is 627-26-9.
What is the molecular formula of Crotononitrile?
The molecular formula of Crotononitrile is C4H5N.
What is the molecular weight of Crotononitrile?
The molecular weight of Crotononitrile is 67.04 g/mol.
Where can I buy Crotononitrile?
You can request a quote for Crotononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotononitrile?
Yes, KEHONG BIO provides custom synthesis services for Crotononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.