Fumaronitrile
TL;DR: Fumaronitrile (CAS 17656-09-6) is a chemical compound with molecular formula C4H2N2 and molecular weight 78.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedinitrile
Also Known As: FUMARONITRILE, Fumarodinitrile, Furmaronitrile, Fumaric nitrile, (E)-but-2-enedinitrile
| Molecular Formula | C4H2N2 |
|---|---|
| Molecular Weight | 78.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 78.0218 |
| Heavy Atoms | 6 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 17656-09-6 |
|---|---|
| SMILES | C(=C/C#N)\C#N |
| InChIKey | KYPOHTVBFVELTG-OWOJBTEDSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fumaronitrile (CAS 17656-09-6), with molecular formula C4H2N2 and molecular weight 78.02 g/mol. IUPAC: (E)-but-2-enedinitrile.
Chemical Property Profile of Fumaronitrile
Property Insights of Fumaronitrile
The XLogP value of -0.2 indicates that Fumaronitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, Fumaronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fumaronitrile has 0 hydrogen bond donor(s) and 2 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 Fumaronitrile?
The CAS number of Fumaronitrile is 17656-09-6.
What is the molecular formula of Fumaronitrile?
The molecular formula of Fumaronitrile is C4H2N2.
What is the molecular weight of Fumaronitrile?
The molecular weight of Fumaronitrile is 78.02 g/mol.
Where can I buy Fumaronitrile?
You can request a quote for Fumaronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaronitrile?
Yes, KEHONG BIO provides custom synthesis services for Fumaronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.