3-Cyano-8-methoxycoumarin
TL;DR: 3-Cyano-8-methoxycoumarin (CAS 13229-91-9) is a chemical compound with molecular formula C11H7NO3 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-2-oxochromene-3-carbonitrile
Also Known As: 3-CYANO-8-METHOXYCOUMARIN, 8-methoxy-2-oxo-2H-chromene-3-carbonitrile, 3-Cyan-8-methoxy-cumarin, 8-methoxy-2-oxochromene-3-carbonitrile, 3-Cyano-8-methoxycoumarin, AldrichCPR
| Molecular Formula | C11H7NO3 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 1.67328 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04259 |
| Heavy Atoms | 15 |
| Complexity | 607.2396 |
Chemical Identifiers
| CAS Number | 13229-91-9 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=O)C(=C2)C#N |
Product Overview
3-Cyano-8-methoxycoumarin (CAS 13229-91-9), with molecular formula C11H7NO3 and molecular weight 201.04 g/mol. IUPAC: 8-methoxy-2-oxochromene-3-carbonitrile.
Chemical Property Profile of 3-Cyano-8-methoxycoumarin
Property Insights of 3-Cyano-8-methoxycoumarin
The XLogP value of 1.67328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-8-methoxycoumarin. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-8-methoxycoumarin. Following Lipinski's Rule of Five, 3-Cyano-8-methoxycoumarin has 0 hydrogen bond donor(s) and 4 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 3-Cyano-8-methoxycoumarin?
The CAS number of 3-Cyano-8-methoxycoumarin is 13229-91-9.
What is the molecular formula of 3-Cyano-8-methoxycoumarin?
The molecular formula of 3-Cyano-8-methoxycoumarin is C11H7NO3.
What is the molecular weight of 3-Cyano-8-methoxycoumarin?
The molecular weight of 3-Cyano-8-methoxycoumarin is 201.04 g/mol.
Where can I buy 3-Cyano-8-methoxycoumarin?
You can request a quote for 3-Cyano-8-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-8-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-8-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.