![2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile structure](/static/products/405/40599-24-4.png)
2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile
TL;DR: 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile (CAS 40599-24-4) is a chemical compound with molecular formula C15H14N4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-spiro[3H-benzimidazole-2,1'-cyclohexane]-5-ylidenepropanedinitrile
Also Known As: 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile, 2-spiro[3H-benzimidazole-2,1''-cyclohexane]-5-ylidenemalononitrile, 2-(5-spiro[3H-benzimidazole-2,1''-cyclohexane]ylidene)propanedinitrile, 2-spiro[3H-benzimidazole-2,1''-cyclohexane]-5-ylidenepropanedinitrile, 2-spiro[3H-benzimidazole-2,1'-cyclohexane]-5-ylidenepropanedinitrile
| Molecular Formula | C15H14N4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.12184 |
| Heavy Atoms | 19 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 40599-24-4 |
|---|---|
| SMILES | C1CCC2(CC1)NC3=CC(=C(C#N)C#N)C=CC3=N2 |
| InChIKey | WFPTWGXJURKSDH-UHFFFAOYSA-N |
Product Overview
2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile (CAS 40599-24-4), with molecular formula C15H14N4 and molecular weight 250.12 g/mol. IUPAC: 2-spiro[3H-benzimidazole-2,1'-cyclohexane]-5-ylidenepropanedinitrile.
Chemical Property Profile of 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile
Property Insights of 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile. Following Lipinski's Rule of Five, 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile has 1 hydrogen bond donor(s) and 4 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-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile?
The CAS number of 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile is 40599-24-4.
What is the molecular formula of 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile?
The molecular formula of 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile is C15H14N4.
What is the molecular weight of 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile?
The molecular weight of 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile is 250.12 g/mol.
Where can I buy 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile?
You can request a quote for 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-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-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(spiro[benzo[d]imidazole-2,1'-cyclohexan]-6(1H)-ylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.