Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate
TL;DR: Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate (CAS 669-61-4) is a chemical compound with molecular formula C11H9ClO4 and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-3-oxo-1-benzofuran-2-carboxylate
Also Known As: ethyl 5-chloro-3-oxo-1-benzofuran-2-carboxylate, ethyl 5-chloro-3(2h)-benzofuranone-2-carboxylate, ethyl-5-chloro-3-oxo-2,3-dihydrobenzofuran-2-carboxylate, Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate, RefChem:344321
| Molecular Formula | C11H9ClO4 |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.01894 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 669-61-4 |
|---|---|
| SMILES | CCOC(=O)C1C(=O)C2=C(O1)C=CC(=C2)Cl |
| InChIKey | RMYBROFXHSVTSV-UHFFFAOYSA-N |
Product Overview
Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate (CAS 669-61-4), with molecular formula C11H9ClO4 and molecular weight 240.02 g/mol. IUPAC: ethyl 5-chloro-3-oxo-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate
Property Insights of Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate is 669-61-4.
What is the molecular formula of Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate is C11H9ClO4.
What is the molecular weight of Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate is 240.02 g/mol.
Where can I buy Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloro-3-oxo-2,3-dihydro-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.