7-Ethenyloxycoumarin
TL;DR: 7-Ethenyloxycoumarin (CAS 120876-04-2) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethenoxychromen-2-one
Also Known As: 7-Ethenyloxycoumarin, 7-ethenoxychromen-2-one, 2H-1-Benzopyran-2-one, 7-(ethenyloxy)-, 7-(ethenyloxy)-2H-chromen-2-one, 7-Vinyloxy-2H-1-benzopyran-2-one
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 120876-04-2 |
|---|---|
| SMILES | C=COC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | YLKMRNNJUVHZRT-UHFFFAOYSA-N |
Product Overview
7-Ethenyloxycoumarin (CAS 120876-04-2), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 7-ethenoxychromen-2-one.
Chemical Property Profile of 7-Ethenyloxycoumarin
Property Insights of 7-Ethenyloxycoumarin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Ethenyloxycoumarin. With a topological polar surface area (TPSA) of 35.5 Ų, 7-Ethenyloxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ethenyloxycoumarin 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-Ethenyloxycoumarin?
The CAS number of 7-Ethenyloxycoumarin is 120876-04-2.
What is the molecular formula of 7-Ethenyloxycoumarin?
The molecular formula of 7-Ethenyloxycoumarin is C11H8O3.
What is the molecular weight of 7-Ethenyloxycoumarin?
The molecular weight of 7-Ethenyloxycoumarin is 188.05 g/mol.
Where can I buy 7-Ethenyloxycoumarin?
You can request a quote for 7-Ethenyloxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethenyloxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethenyloxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.