Coumarin, 3-ethyl-
TL;DR: Coumarin, 3-ethyl- (CAS 66898-39-3) 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.
3-ethylchromen-2-one
Also Known As: 3-Ethylcoumarin, ethylco umarin, COUMARIN, 3-ETHYL-, 3-ethylchromen-2-one, 3-Ethyl-2H-1-benzopyran-2-one
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.7 |
| 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 | 242.0 |
Chemical Identifiers
| CAS Number | 66898-39-3 |
|---|---|
| SMILES | CCC1=CC2=CC=CC=C2OC1=O |
| InChIKey | LKAXCASKXOSFIU-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-ethyl- (CAS 66898-39-3), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 3-ethylchromen-2-one.
Chemical Property Profile of Coumarin, 3-ethyl-
Property Insights of Coumarin, 3-ethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-ethyl-. With a topological polar surface area (TPSA) of 26.3 Ų, Coumarin, 3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-ethyl- 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 Coumarin, 3-ethyl-?
The CAS number of Coumarin, 3-ethyl- is 66898-39-3.
What is the molecular formula of Coumarin, 3-ethyl-?
The molecular formula of Coumarin, 3-ethyl- is C11H10O2.
What is the molecular weight of Coumarin, 3-ethyl-?
The molecular weight of Coumarin, 3-ethyl- is 174.07 g/mol.
Where can I buy Coumarin, 3-ethyl-?
You can request a quote for Coumarin, 3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.