Cyclopent-1-ene-1,2-dicarbonitrile
TL;DR: Cyclopent-1-ene-1,2-dicarbonitrile (CAS 54095-53-3) is a chemical compound with molecular formula C7H6N2 and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentene-1,2-dicarbonitrile
Also Known As: Cyclopent-1-ene-1,2-dicarbonitrile, 1,2-Dicyanocyclopenten, 1,2-dicyanocyclopentene, cyclopentene-1,2-dicarbonitrile, 1-cyclopentene-1,2-dicarbonitrile
| Molecular Formula | C7H6N2 |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.0531 |
| Heavy Atoms | 9 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 54095-53-3 |
|---|---|
| SMILES | C1CC(=C(C1)C#N)C#N |
| InChIKey | HEXQKPDCBSWTHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopent-1-ene-1,2-dicarbonitrile (CAS 54095-53-3), with molecular formula C7H6N2 and molecular weight 118.05 g/mol. IUPAC: cyclopentene-1,2-dicarbonitrile.
Chemical Property Profile of Cyclopent-1-ene-1,2-dicarbonitrile
Property Insights of Cyclopent-1-ene-1,2-dicarbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopent-1-ene-1,2-dicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Cyclopent-1-ene-1,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopent-1-ene-1,2-dicarbonitrile 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 Cyclopent-1-ene-1,2-dicarbonitrile?
The CAS number of Cyclopent-1-ene-1,2-dicarbonitrile is 54095-53-3.
What is the molecular formula of Cyclopent-1-ene-1,2-dicarbonitrile?
The molecular formula of Cyclopent-1-ene-1,2-dicarbonitrile is C7H6N2.
What is the molecular weight of Cyclopent-1-ene-1,2-dicarbonitrile?
The molecular weight of Cyclopent-1-ene-1,2-dicarbonitrile is 118.05 g/mol.
Where can I buy Cyclopent-1-ene-1,2-dicarbonitrile?
You can request a quote for Cyclopent-1-ene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopent-1-ene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Cyclopent-1-ene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.