Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate (CAS 99429-64-8) is a chemical compound with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate, ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate, BAS 00141180, ethyl 4-chloro-2-hydroxyquinoline-3-carboxylate, ethyl 4-chloro-2-oxohydroquinoline-3-carboxylate
| Molecular Formula | C12H10ClNO3 |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.03493 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 99429-64-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)Cl |
| InChIKey | KTFCVAZGXKEUSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate (CAS 99429-64-8), with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol. IUPAC: ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate has 1 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 Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate is 99429-64-8.
What is the molecular formula of Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate is C12H10ClNO3.
What is the molecular weight of Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate is 251.03 g/mol.
Where can I buy Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.