![7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile structure](/static/products/689/68913-19-9.png)
7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
TL;DR: 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS 68913-19-9) is a chemical compound with molecular formula C9H6ClN and molecular weight 163.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Also Known As: 7-Chlorobicyclo[4.2.0]octa-1,3,5-trien-7-carbonitril, 7-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
| Molecular Formula | C9H6ClN |
|---|---|
| Molecular Weight | 163.02 g/mol |
| LogP | 2.20038 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.01888 |
| Heavy Atoms | 11 |
| Complexity | 339.66113 |
Chemical Identifiers
| CAS Number | 68913-19-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2C1(C#N)Cl |
Product Overview
7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS 68913-19-9), with molecular formula C9H6ClN and molecular weight 163.02 g/mol. IUPAC: 7-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile.
Chemical Property Profile of 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Property Insights of 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
The XLogP value of 2.20038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-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 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The CAS number of 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 68913-19-9.
What is the molecular formula of 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The molecular formula of 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is C9H6ClN.
What is the molecular weight of 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The molecular weight of 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 163.02 g/mol.
Where can I buy 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
You can request a quote for 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.