![5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile structure](/static/products/943/943-13-5.png)
5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile
TL;DR: 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile (CAS 943-13-5) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene-4-carbonitrile
Also Known As: [?]carbonitrile|NCI60_031343|5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile|5-cyano-5,6-dihydrocyclobuta(f)-1,3-benzodioxole|5,6-Dihydro-2H-cyclobuta[f][1,3]benzodioxole-5-carbonitrile|Cyclobuta[f]-1,3-benzodioxole-5-carbonitrile, 5,6-dihydro-|5,6-dihydrocyclobuta[4,5]benzo[1,2-d][1,3]dioxole-5-carbonitrile|JJWVROPXUHNEPC-UHFFFAOYSA-N
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 943-13-5 |
|---|---|
| SMILES | C1C(C2=CC3=C(C=C21)OCO3)C#N |
| InChIKey | JJWVROPXUHNEPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile (CAS 943-13-5), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: 9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene-4-carbonitrile.
Chemical Property Profile of 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile
Property Insights of 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile has 0 hydrogen bond donor(s) and 3 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 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile?
The CAS number of 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile is 943-13-5.
What is the molecular formula of 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile?
The molecular formula of 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile is C10H7NO2.
What is the molecular weight of 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile?
The molecular weight of 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile is 173.05 g/mol.
Where can I buy 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile?
You can request a quote for 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.