6-Cyanocoumarin
TL;DR: 6-Cyanocoumarin (CAS 50396-61-7) is a chemical compound with molecular formula C10H5NO2 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxochromene-6-carbonitrile
Also Known As: 6-Cyanocoumarin, 2-oxochromene-6-carbonitrile, 2-OXO-2H-CHROMENE-6-CARBONITRILE, 2-oxo-2h-chromen-6-carbonitril, 2H-1-Benzopyran-6-carbonitrile, 2-oxo-
| Molecular Formula | C10H5NO2 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 1.66468 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.03203 |
| Heavy Atoms | 13 |
| Complexity | 548.5887 |
Chemical Identifiers
| CAS Number | 50396-61-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1C#N |
Product Overview
6-Cyanocoumarin (CAS 50396-61-7), with molecular formula C10H5NO2 and molecular weight 171.03 g/mol. IUPAC: 2-oxochromene-6-carbonitrile.
Chemical Property Profile of 6-Cyanocoumarin
Property Insights of 6-Cyanocoumarin
The XLogP value of 1.66468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Cyanocoumarin. With a topological polar surface area (TPSA) of 54.0 Ų, 6-Cyanocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Cyanocoumarin 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 6-Cyanocoumarin?
The CAS number of 6-Cyanocoumarin is 50396-61-7.
What is the molecular formula of 6-Cyanocoumarin?
The molecular formula of 6-Cyanocoumarin is C10H5NO2.
What is the molecular weight of 6-Cyanocoumarin?
The molecular weight of 6-Cyanocoumarin is 171.03 g/mol.
Where can I buy 6-Cyanocoumarin?
You can request a quote for 6-Cyanocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Cyanocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Cyanocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.