Ethyl 4,6-dichloroquinoline-3-carboxylate
TL;DR: Ethyl 4,6-dichloroquinoline-3-carboxylate (CAS 21168-41-2) is a chemical compound with molecular formula C12H9Cl2NO2 and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dichloroquinoline-3-carboxylate
Also Known As: ethyl 4,6-dichloroquinoline-3-carboxylate, 3-aminopyridazine-4-carbonitrile, ETHYL 4,6-DICHLORO-3-QUINOLINECARBOXYLATE, 0803AB, 4,6-Dichloroquinoline-3-carboxylic acid ethyl ester
| Molecular Formula | C12H9Cl2NO2 |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 3.7183 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.00104 |
| Heavy Atoms | 17 |
| Complexity | 583.9725 |
Chemical Identifiers
| CAS Number | 21168-41-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)Cl |
Product Overview
Ethyl 4,6-dichloroquinoline-3-carboxylate (CAS 21168-41-2), with molecular formula C12H9Cl2NO2 and molecular weight 269.00 g/mol. IUPAC: ethyl 4,6-dichloroquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4,6-dichloroquinoline-3-carboxylate
Property Insights of Ethyl 4,6-dichloroquinoline-3-carboxylate
The XLogP value of 3.7183 indicates that Ethyl 4,6-dichloroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 4,6-dichloroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,6-dichloroquinoline-3-carboxylate has 0 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 4,6-dichloroquinoline-3-carboxylate?
The CAS number of Ethyl 4,6-dichloroquinoline-3-carboxylate is 21168-41-2.
What is the molecular formula of Ethyl 4,6-dichloroquinoline-3-carboxylate?
The molecular formula of Ethyl 4,6-dichloroquinoline-3-carboxylate is C12H9Cl2NO2.
What is the molecular weight of Ethyl 4,6-dichloroquinoline-3-carboxylate?
The molecular weight of Ethyl 4,6-dichloroquinoline-3-carboxylate is 269.00 g/mol.
Where can I buy Ethyl 4,6-dichloroquinoline-3-carboxylate?
You can request a quote for Ethyl 4,6-dichloroquinoline-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 4,6-dichloroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,6-dichloroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.