4-Ethoxycoumarin
TL;DR: 4-Ethoxycoumarin (CAS 3597-66-8) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxychromen-2-one
Also Known As: 4-Ethoxycoumarin, 4-ethoxychromen-2-one, 4-ethoxy-2h-chromen-2-one, 4-Ethoxy coumarin, 4 - Ethoxycoumarin
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 3597-66-8 |
|---|---|
| SMILES | CCOC1=CC(=O)OC2=CC=CC=C21 |
| InChIKey | FLZDKBHAUILYAZ-UHFFFAOYSA-N |
Product Overview
4-Ethoxycoumarin (CAS 3597-66-8), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 4-ethoxychromen-2-one.
Chemical Property Profile of 4-Ethoxycoumarin
Property Insights of 4-Ethoxycoumarin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxycoumarin. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Ethoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxycoumarin 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-Ethoxycoumarin?
The CAS number of 4-Ethoxycoumarin is 3597-66-8.
What is the molecular formula of 4-Ethoxycoumarin?
The molecular formula of 4-Ethoxycoumarin is C11H10O3.
What is the molecular weight of 4-Ethoxycoumarin?
The molecular weight of 4-Ethoxycoumarin is 190.06 g/mol.
Where can I buy 4-Ethoxycoumarin?
You can request a quote for 4-Ethoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.