4-Ethoxy-7-methoxycoumarin
TL;DR: 4-Ethoxy-7-methoxycoumarin (CAS 29064-32-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-7-methoxychromen-2-one
Also Known As: 4-ETHOXY-7-METHOXYCOUMARIN, 4-ethoxy-7-methoxychromen-2-one
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 29064-32-2 |
|---|---|
| SMILES | CCOC1=CC(=O)OC2=C1C=CC(=C2)OC |
| InChIKey | DXYREIQSILTYNR-UHFFFAOYSA-N |
Product Overview
4-Ethoxy-7-methoxycoumarin (CAS 29064-32-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 4-ethoxy-7-methoxychromen-2-one.
Chemical Property Profile of 4-Ethoxy-7-methoxycoumarin
Property Insights of 4-Ethoxy-7-methoxycoumarin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-7-methoxycoumarin. With a topological polar surface area (TPSA) of 44.8 Ų, 4-Ethoxy-7-methoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-7-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 4-Ethoxy-7-methoxycoumarin?
The CAS number of 4-Ethoxy-7-methoxycoumarin is 29064-32-2.
What is the molecular formula of 4-Ethoxy-7-methoxycoumarin?
The molecular formula of 4-Ethoxy-7-methoxycoumarin is C12H12O4.
What is the molecular weight of 4-Ethoxy-7-methoxycoumarin?
The molecular weight of 4-Ethoxy-7-methoxycoumarin is 220.07 g/mol.
Where can I buy 4-Ethoxy-7-methoxycoumarin?
You can request a quote for 4-Ethoxy-7-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.