丁-2-烯二腈
TL;DR: 丁-2-烯二腈 (CAS 764-42-1) 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.
丁-2-烯二腈
but-2-enedinitrile
Also Known As: FUMARONITRILE, But-2-enedinitrile, 2-butenedinitrile, (E)-but-2-enedinitrile, (Z)-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 | 764-42-1 |
|---|---|
| SMILES | C(=CC#N)C#N |
| InChIKey | KYPOHTVBFVELTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁-2-烯二腈 (CAS 764-42-1), with molecular formula C4H2N2 and molecular weight 78.02 g/mol. IUPAC: but-2-enedinitrile.
Chemical Property Profile of 丁-2-烯二腈
Property Insights of 丁-2-烯二腈
The XLogP value of -0.2 indicates that 丁-2-烯二腈 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, 丁-2-烯二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁-2-烯二腈 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 丁-2-烯二腈?
The CAS number of 丁-2-烯二腈 is 764-42-1.
What is the molecular formula of 丁-2-烯二腈?
The molecular formula of 丁-2-烯二腈 is C4H2N2.
What is the molecular weight of 丁-2-烯二腈?
The molecular weight of 丁-2-烯二腈 is 78.02 g/mol.
Where can I buy 丁-2-烯二腈?
You can request a quote for 丁-2-烯二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁-2-烯二腈?
Yes, KEHONG BIO provides custom synthesis services for 丁-2-烯二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.