Crotononitrile, (Z)-
TL;DR: Crotononitrile, (Z)- (CAS 1190-76-7) 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.
(Z)-but-2-enenitrile
Also Known As: cis-Crotononitrile, cis-Cyanopropene, Crotonnitrile, (Z)-2-Butenenitrile, isocrotononitrile
| 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 | 1190-76-7 |
|---|---|
| SMILES | C/C=C\C#N |
| InChIKey | NKKMVIVFRUYPLQ-IHWYPQMZSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crotononitrile, (Z)- (CAS 1190-76-7), with molecular formula C4H5N and molecular weight 67.04 g/mol. IUPAC: (Z)-but-2-enenitrile.
Chemical Property Profile of Crotononitrile, (Z)-
Property Insights of Crotononitrile, (Z)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotononitrile, (Z)-. With a topological polar surface area (TPSA) of 23.8 Ų, Crotononitrile, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotononitrile, (Z)- 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, (Z)-?
The CAS number of Crotononitrile, (Z)- is 1190-76-7.
What is the molecular formula of Crotononitrile, (Z)-?
The molecular formula of Crotononitrile, (Z)- is C4H5N.
What is the molecular weight of Crotononitrile, (Z)-?
The molecular weight of Crotononitrile, (Z)- is 67.04 g/mol.
Where can I buy Crotononitrile, (Z)-?
You can request a quote for Crotononitrile, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotononitrile, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Crotononitrile, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.