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Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile
TL;DR: Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile (CAS 825-24-1) is a chemical compound with molecular formula C9H6N2 and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile
Also Known As: Norbornadiene-2,3-dicarbonitrile, Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile, 2,3-Dicyanobicyclo[2.2.1]hepta-2,5-diene, Bicyclo(2.2.1)hexa-2,5-diene, 2,3-dicarbonitrile-, Bicyclo[2.2.1]hexa-2,5-diene, 2,3-dicarbonitrile-
| Molecular Formula | C9H6N2 |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.0531 |
| Heavy Atoms | 11 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 825-24-1 |
|---|---|
| SMILES | C1C2C=CC1C(=C2C#N)C#N |
| InChIKey | XKDBHCJBKRLHRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile (CAS 825-24-1), with molecular formula C9H6N2 and molecular weight 142.05 g/mol. IUPAC: bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile.
Chemical Property Profile of Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile
Property Insights of Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]hepta-2,5-diene-2,3-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 Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile?
The CAS number of Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile is 825-24-1.
What is the molecular formula of Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile?
The molecular formula of Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile is C9H6N2.
What is the molecular weight of Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile?
The molecular weight of Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile is 142.05 g/mol.
Where can I buy Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile?
You can request a quote for Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.