4-Ethyl-7-methoxycoumarin
TL;DR: 4-Ethyl-7-methoxycoumarin (CAS 64231-08-9) 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.
4-ethyl-7-methoxychromen-2-one
Also Known As: 4-ethyl-7-methoxycoumarin, 4-ethyl-7-methoxy-2H-chromen-2-one, 4-ethyl-7-methoxychromen-2-one, EiM07-13543, BIM-0031363.P001
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.364 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 540.04877 |
Chemical Identifiers
| CAS Number | 64231-08-9 |
|---|---|
| SMILES | CCC1=CC(=O)OC2=C1C=CC(=C2)OC |
Product Overview
4-Ethyl-7-methoxycoumarin (CAS 64231-08-9), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 4-ethyl-7-methoxychromen-2-one.
Chemical Property Profile of 4-Ethyl-7-methoxycoumarin
Property Insights of 4-Ethyl-7-methoxycoumarin
The XLogP value of 2.364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-7-methoxycoumarin. With a topological polar surface area (TPSA) of 39.44 Ų, 4-Ethyl-7-methoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-7-methoxycoumarin 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 4-Ethyl-7-methoxycoumarin?
The CAS number of 4-Ethyl-7-methoxycoumarin is 64231-08-9.
What is the molecular formula of 4-Ethyl-7-methoxycoumarin?
The molecular formula of 4-Ethyl-7-methoxycoumarin is C12H12O3.
What is the molecular weight of 4-Ethyl-7-methoxycoumarin?
The molecular weight of 4-Ethyl-7-methoxycoumarin is 204.08 g/mol.
Where can I buy 4-Ethyl-7-methoxycoumarin?
You can request a quote for 4-Ethyl-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-Ethyl-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.