6-Bromo-3-cyano-4-methylcoumarin
TL;DR: 6-Bromo-3-cyano-4-methylcoumarin (CAS 56803-37-3) is a chemical compound with molecular formula C11H6BrNO2 and molecular weight 262.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4-methyl-2-oxochromene-3-carbonitrile
Also Known As: 6-Bromo-3-cyano-4-methylcoumarin, 3-Fluoro-dl-phenylalanine, 6-bromo-4-methyl-2-oxo-2h-chromene-3-carbonitrile, 6-bromo-4-methyl-2-oxochromene-3-carbonitrile, 3-CYANO-6-BROMO-4-METHYLCOUMARIN
| Molecular Formula | C11H6BrNO2 |
|---|---|
| Molecular Weight | 262.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.9582 |
| Heavy Atoms | 15 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 56803-37-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C(C=C2)Br)C#N |
| InChIKey | NPCFOYALAZMRDI-UHFFFAOYSA-N |
Product Overview
6-Bromo-3-cyano-4-methylcoumarin (CAS 56803-37-3), with molecular formula C11H6BrNO2 and molecular weight 262.96 g/mol. IUPAC: 6-bromo-4-methyl-2-oxochromene-3-carbonitrile.
Chemical Property Profile of 6-Bromo-3-cyano-4-methylcoumarin
Property Insights of 6-Bromo-3-cyano-4-methylcoumarin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-3-cyano-4-methylcoumarin. With a topological polar surface area (TPSA) of 50.1 Ų, 6-Bromo-3-cyano-4-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-3-cyano-4-methylcoumarin 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-Bromo-3-cyano-4-methylcoumarin?
The CAS number of 6-Bromo-3-cyano-4-methylcoumarin is 56803-37-3.
What is the molecular formula of 6-Bromo-3-cyano-4-methylcoumarin?
The molecular formula of 6-Bromo-3-cyano-4-methylcoumarin is C11H6BrNO2.
What is the molecular weight of 6-Bromo-3-cyano-4-methylcoumarin?
The molecular weight of 6-Bromo-3-cyano-4-methylcoumarin is 262.96 g/mol.
Where can I buy 6-Bromo-3-cyano-4-methylcoumarin?
You can request a quote for 6-Bromo-3-cyano-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-cyano-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-cyano-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.