亚甲基丙二腈
TL;DR: 亚甲基丙二腈 (CAS 922-64-5) is a chemical compound with molecular formula C=C(C#N)C#N and molecular weight 78.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚甲基丙二腈
2-methylidenepropanedinitrile
Also Known As: Vinylidene cyanide, 1,1-Dicyanoethylene, 1,1-dicyanoethene, vinylidenecyanide, methylenemalononitrile
| Molecular Formula | C=C(C#N)C#N |
|---|---|
| Molecular Weight | 78.02 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 | 78.0218 |
| Heavy Atoms | 6 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 922-64-5 |
|---|---|
| SMILES | C=C(C#N)C#N |
| InChIKey | FCYVWWWTHPPJII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚甲基丙二腈 (CAS 922-64-5), with molecular formula C=C(C#N)C#N and molecular weight 78.02 g/mol. IUPAC: 2-methylidenepropanedinitrile.
Chemical Property Profile of 亚甲基丙二腈
Property Insights of 亚甲基丙二腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚甲基丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 亚甲基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚甲基丙二腈 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 亚甲基丙二腈?
The CAS number of 亚甲基丙二腈 is 922-64-5.
What is the molecular formula of 亚甲基丙二腈?
The molecular formula of 亚甲基丙二腈 is C=C(C#N)C#N.
What is the molecular weight of 亚甲基丙二腈?
The molecular weight of 亚甲基丙二腈 is 78.02 g/mol.
Where can I buy 亚甲基丙二腈?
You can request a quote for 亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.