6-Chloro-3-cyanocoumarin
TL;DR: 6-Chloro-3-cyanocoumarin (CAS 51122-94-2) is a chemical compound with molecular formula C10H4ClNO2 and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-oxochromene-3-carbonitrile
Also Known As: 6-chloro-3-cyanocoumarin, Not Available, 6-Chloro-2-oxo-2H-chromene-3-carbonitrile, 6-Chlor-3-cyan-cumarin, 6-chloro-2-oxochromene-3-carbonitrile
| Molecular Formula | C10H4ClNO2 |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.99306 |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 51122-94-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C#N |
| InChIKey | VPKFUFWLNZVICO-UHFFFAOYSA-N |
Product Overview
6-Chloro-3-cyanocoumarin (CAS 51122-94-2), with molecular formula C10H4ClNO2 and molecular weight 204.99 g/mol. IUPAC: 6-chloro-2-oxochromene-3-carbonitrile.
Chemical Property Profile of 6-Chloro-3-cyanocoumarin
Property Insights of 6-Chloro-3-cyanocoumarin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-3-cyanocoumarin. With a topological polar surface area (TPSA) of 50.1 Ų, 6-Chloro-3-cyanocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-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-Chloro-3-cyanocoumarin?
The CAS number of 6-Chloro-3-cyanocoumarin is 51122-94-2.
What is the molecular formula of 6-Chloro-3-cyanocoumarin?
The molecular formula of 6-Chloro-3-cyanocoumarin is C10H4ClNO2.
What is the molecular weight of 6-Chloro-3-cyanocoumarin?
The molecular weight of 6-Chloro-3-cyanocoumarin is 204.99 g/mol.
Where can I buy 6-Chloro-3-cyanocoumarin?
You can request a quote for 6-Chloro-3-cyanocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-cyanocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-cyanocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.