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Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile
TL;DR: Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile (CAS 20185-23-3) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile
Also Known As: Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile, Bicyclo(4.2.0)octa-2,4-diene-7-carbonitrile, RefChem:329398
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 20185-23-3 |
|---|---|
| SMILES | C1C2C=CC=CC2C1C#N |
| InChIKey | FOXSGAMFBNMWSS-UHFFFAOYSA-N |
Product Overview
Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile (CAS 20185-23-3), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile.
Chemical Property Profile of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile
Property Insights of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile has 0 hydrogen bond donor(s) and 1 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[4.2.0]octa-2,4-diene-7-carbonitrile?
The CAS number of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile is 20185-23-3.
What is the molecular formula of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile?
The molecular formula of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile is C9H9N.
What is the molecular weight of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile?
The molecular weight of Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile is 131.07 g/mol.
Where can I buy Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile?
You can request a quote for Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[4.2.0]octa-2,4-diene-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.