7-Ethoxy-4-methylcoumarin
TL;DR: 7-Ethoxy-4-methylcoumarin (CAS 87-05-8) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxy-4-methylchromen-2-one
Also Known As: 7-Ethoxy-4-methylcoumarin, 7-Ethoxy-4-methyl-2H-chromen-2-one, 4-Methyl-7-ethoxycoumarin, Maraniol, Madescol
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| Melting Point | 114 °C |
| Boiling Point | 350.00 to 352.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 87-05-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | NKRISXMDKXBVRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Ethoxy-4-methylcoumarin (CAS 87-05-8), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 7-ethoxy-4-methylchromen-2-one.
Chemical Property Profile of 7-Ethoxy-4-methylcoumarin
Property Insights of 7-Ethoxy-4-methylcoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Ethoxy-4-methylcoumarin. With a topological polar surface area (TPSA) of 35.5 Ų, 7-Ethoxy-4-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ethoxy-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 7-Ethoxy-4-methylcoumarin?
The CAS number of 7-Ethoxy-4-methylcoumarin is 87-05-8.
What is the molecular formula of 7-Ethoxy-4-methylcoumarin?
The molecular formula of 7-Ethoxy-4-methylcoumarin is C12H12O3.
What is the molecular weight of 7-Ethoxy-4-methylcoumarin?
The molecular weight of 7-Ethoxy-4-methylcoumarin is 204.08 g/mol.
Where can I buy 7-Ethoxy-4-methylcoumarin?
You can request a quote for 7-Ethoxy-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethoxy-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethoxy-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.