4-Chlor-3-ethyl-cumarin
TL;DR: 4-Chlor-3-ethyl-cumarin (CAS 110229-41-9) is a chemical compound with molecular formula C11H9ClO2 and molecular weight 208.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-ethylchromen-2-one
Also Known As: 4-Chlor-3-ethyl-cumarin, 4-chloro-3-ethyl-chromen-2-one, 4-chloro-3-ethylchromen-2-one
Technical Specifications
| Molecular Formula | C11H9ClO2 |
| Molecular Weight | 208.02911 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.02911 Da |
| Heavy Atoms | 14 |
| Complexity | 283.0 |
| SMILES | CCC1=C(C2=CC=CC=C2OC1=O)Cl |
| InChIKey | AGDHKYCFSNWEEM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chlor-3-ethyl-cumarin
Property Insights of 4-Chlor-3-ethyl-cumarin
The XLogP value of 3.1 indicates that 4-Chlor-3-ethyl-cumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlor-3-ethyl-cumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlor-3-ethyl-cumarin 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
What is the CAS number of 4-Chlor-3-ethyl-cumarin?
The CAS number of 4-Chlor-3-ethyl-cumarin is 110229-41-9.
What is the molecular formula of 4-Chlor-3-ethyl-cumarin?
The molecular formula of 4-Chlor-3-ethyl-cumarin is C11H9ClO2.
What is the molecular weight of 4-Chlor-3-ethyl-cumarin?
The molecular weight of 4-Chlor-3-ethyl-cumarin is 208.02911 g/mol.
Where can I buy 4-Chlor-3-ethyl-cumarin?
You can request a quote for 4-Chlor-3-ethyl-cumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlor-3-ethyl-cumarin?
Yes, CoreyChem provides custom synthesis services for 4-Chlor-3-ethyl-cumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.