![8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile structure](/static/products/2038/203805-69-0.webp)
8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile
TL;DR: 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile (CAS 203805-69-0) is a chemical compound with molecular formula C9H5NO and molecular weight 143.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile
Also Known As: 7-oxobicyclo[4.2.0]octa-1,3,5-triene-5-carbonitrile, Bicyclo[4.2.0]octa-1,3,5-triene-2-carbonitrile, 8-oxo, Bicyclo[4.2.0]octa-1,3,5-triene-2-carbonitrile, 8-oxo-, Bicyclo[4.2.0]octa-1,3,5-triene-2-carbonitrile, 8-oxo- (9CI)
| Molecular Formula | C9H5NO |
|---|---|
| Molecular Weight | 143.04 g/mol |
| LogP | 1.29708 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.03711 |
| Heavy Atoms | 11 |
| Complexity | 373.6394 |
Chemical Identifiers
| CAS Number | 203805-69-0 |
|---|---|
| SMILES | C1C2=C(C1=O)C(=CC=C2)C#N |
Product Overview
8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile (CAS 203805-69-0), with molecular formula C9H5NO and molecular weight 143.04 g/mol. IUPAC: 8-oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile.
Chemical Property Profile of 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile
Property Insights of 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile
The XLogP value of 1.29708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile 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-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile?
The CAS number of 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile is 203805-69-0.
What is the molecular formula of 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile?
The molecular formula of 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile is C9H5NO.
What is the molecular weight of 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile?
The molecular weight of 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile is 143.04 g/mol.
Where can I buy 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile?
You can request a quote for 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.