2-Azepan-2-ylidene-malononitrile
TL;DR: 2-Azepan-2-ylidene-malononitrile (CAS 20103-48-4) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-2-ylidene)propanedinitrile
Also Known As: 2-Azepan-2-ylidene-malononitrile, 2-(azepan-2-ylidene)propanedinitrile, BAS 00329582, [(Hexahydro-1H-azepin)-2-ylidene]malononitrile, azaperhydroepin-2-ylidenemethane-1,1-dicarbonitrile
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 1.45126 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 238.47868 |
Chemical Identifiers
| CAS Number | 20103-48-4 |
|---|---|
| SMILES | C1CCC(=C(C#N)C#N)NCC1 |
Product Overview
2-Azepan-2-ylidene-malononitrile (CAS 20103-48-4), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 2-(azepan-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-Azepan-2-ylidene-malononitrile
Property Insights of 2-Azepan-2-ylidene-malononitrile
The XLogP value of 1.45126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azepan-2-ylidene-malononitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 2-Azepan-2-ylidene-malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azepan-2-ylidene-malononitrile has 1 hydrogen bond donor(s) and 3 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 2-Azepan-2-ylidene-malononitrile?
The CAS number of 2-Azepan-2-ylidene-malononitrile is 20103-48-4.
What is the molecular formula of 2-Azepan-2-ylidene-malononitrile?
The molecular formula of 2-Azepan-2-ylidene-malononitrile is C9H11N3.
What is the molecular weight of 2-Azepan-2-ylidene-malononitrile?
The molecular weight of 2-Azepan-2-ylidene-malononitrile is 161.10 g/mol.
Where can I buy 2-Azepan-2-ylidene-malononitrile?
You can request a quote for 2-Azepan-2-ylidene-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Azepan-2-ylidene-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Azepan-2-ylidene-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.