6-Ethylcoumarin
TL;DR: 6-Ethylcoumarin (CAS 28045-77-4) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylchromen-2-one
Also Known As: 6-Ethylcoumarin, 6-ethyl-2h-chromen-2-one, 6-ethylchromen-2-one, 6-Ethyl Coumarin, Coumarin, 6-ethyl-
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 28045-77-4 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=O)C=C2 |
| InChIKey | SBZIILXFKTXDCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ethylcoumarin (CAS 28045-77-4), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 6-ethylchromen-2-one.
Chemical Property Profile of 6-Ethylcoumarin
Property Insights of 6-Ethylcoumarin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethylcoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Ethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethylcoumarin has 0 hydrogen bond donor(s) and 2 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 6-Ethylcoumarin?
The CAS number of 6-Ethylcoumarin is 28045-77-4.
What is the molecular formula of 6-Ethylcoumarin?
The molecular formula of 6-Ethylcoumarin is C11H10O2.
What is the molecular weight of 6-Ethylcoumarin?
The molecular weight of 6-Ethylcoumarin is 174.07 g/mol.
Where can I buy 6-Ethylcoumarin?
You can request a quote for 6-Ethylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.