1-环丁烯-1,2-二甲腈
TL;DR: 1-环丁烯-1,2-二甲腈 (CAS 3716-97-0) is a chemical compound with molecular formula C6H4N2 and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-环丁烯-1,2-二甲腈
cyclobutene-1,2-dicarbonitrile
Also Known As: 1,2-Dicyanocyclobutene, 1-CYCLOBUTENE-1,2-DICARBONITRILE, cyclobutene-1,2-dicarbonitrile, 1,2-Dicyanocyclobutene-1, 1,2-Cyclobutenedicarbonitrile
| Molecular Formula | C6H4N2 |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.037445 |
| Heavy Atoms | 8 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 3716-97-0 |
|---|---|
| SMILES | C1CC(=C1C#N)C#N |
| InChIKey | VMFXYPBFHHRGKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-环丁烯-1,2-二甲腈 (CAS 3716-97-0), with molecular formula C6H4N2 and molecular weight 104.04 g/mol. IUPAC: cyclobutene-1,2-dicarbonitrile.
Chemical Property Profile of 1-环丁烯-1,2-二甲腈
Property Insights of 1-环丁烯-1,2-二甲腈
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-环丁烯-1,2-二甲腈. With a topological polar surface area (TPSA) of 47.6 Ų, 1-环丁烯-1,2-二甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-环丁烯-1,2-二甲腈 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 1-环丁烯-1,2-二甲腈?
The CAS number of 1-环丁烯-1,2-二甲腈 is 3716-97-0.
What is the molecular formula of 1-环丁烯-1,2-二甲腈?
The molecular formula of 1-环丁烯-1,2-二甲腈 is C6H4N2.
What is the molecular weight of 1-环丁烯-1,2-二甲腈?
The molecular weight of 1-环丁烯-1,2-二甲腈 is 104.04 g/mol.
Where can I buy 1-环丁烯-1,2-二甲腈?
You can request a quote for 1-环丁烯-1,2-二甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-环丁烯-1,2-二甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-环丁烯-1,2-二甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.