8,8-Dicyanoheptafulvene
TL;DR: 8,8-Dicyanoheptafulvene (CAS 2860-54-0) is a chemical compound with molecular formula C10H6N2 and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohepta-2,4,6-trien-1-ylidenepropanedinitrile
Also Known As: 8,8-Dicyanoheptafulvene, MALONONITRILE, Propanedinitrile, 2,4,6-cycloheptatrien-1-ylidene-, 2,4,6-Cycloheptatriene-.delta.1,.alpha.-malononitrile, cyclohepta-2,4,6-trien-1-ylidenemalononitrile
| Molecular Formula | C10H6N2 |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.0531 |
| Heavy Atoms | 12 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 2860-54-0 |
|---|---|
| SMILES | C1=CC=CC(=C(C#N)C#N)C=C1 |
| InChIKey | KAWLLELUFONBGI-UHFFFAOYSA-N |
Product Overview
8,8-Dicyanoheptafulvene (CAS 2860-54-0), with molecular formula C10H6N2 and molecular weight 154.05 g/mol. IUPAC: 2-cyclohepta-2,4,6-trien-1-ylidenepropanedinitrile.
Chemical Property Profile of 8,8-Dicyanoheptafulvene
Property Insights of 8,8-Dicyanoheptafulvene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8-Dicyanoheptafulvene. With a topological polar surface area (TPSA) of 47.6 Ų, 8,8-Dicyanoheptafulvene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,8-Dicyanoheptafulvene 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 8,8-Dicyanoheptafulvene?
The CAS number of 8,8-Dicyanoheptafulvene is 2860-54-0.
What is the molecular formula of 8,8-Dicyanoheptafulvene?
The molecular formula of 8,8-Dicyanoheptafulvene is C10H6N2.
What is the molecular weight of 8,8-Dicyanoheptafulvene?
The molecular weight of 8,8-Dicyanoheptafulvene is 154.05 g/mol.
Where can I buy 8,8-Dicyanoheptafulvene?
You can request a quote for 8,8-Dicyanoheptafulvene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8-Dicyanoheptafulvene?
Yes, KEHONG BIO provides custom synthesis services for 8,8-Dicyanoheptafulvene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.