二氰乙炔
TL;DR: 二氰乙炔 (CAS 1071-98-3) is a chemical compound with molecular formula C4N2 and molecular weight 76.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氰乙炔
but-2-ynedinitrile
Also Known As: Dicyanoacetylene, 2-Butynedinitrile, but-2-ynedinitrile, Dicyanoethyne, dicyanovinylene
| Molecular Formula | C4N2 |
|---|---|
| Molecular Weight | 76.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.00615 |
| Heavy Atoms | 6 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 1071-98-3 |
|---|---|
| SMILES | C(#CC#N)C#N |
| InChIKey | ZEHZNAXXOOYTJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氰乙炔 (CAS 1071-98-3), with molecular formula C4N2 and molecular weight 76.01 g/mol. IUPAC: but-2-ynedinitrile.
Chemical Property Profile of 二氰乙炔
Property Insights of 二氰乙炔
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氰乙炔. With a topological polar surface area (TPSA) of 47.6 Ų, 二氰乙炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氰乙炔 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 二氰乙炔?
The CAS number of 二氰乙炔 is 1071-98-3.
What is the molecular formula of 二氰乙炔?
The molecular formula of 二氰乙炔 is C4N2.
What is the molecular weight of 二氰乙炔?
The molecular weight of 二氰乙炔 is 76.01 g/mol.
Where can I buy 二氰乙炔?
You can request a quote for 二氰乙炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氰乙炔?
Yes, KEHONG BIO provides custom synthesis services for 二氰乙炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.