Ethyl 2-chloro-6-nitroquinoline-4-carboxylate
TL;DR: Ethyl 2-chloro-6-nitroquinoline-4-carboxylate (CAS 55878-86-9) is a chemical compound with molecular formula C12H9ClN2O4 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-6-nitroquinoline-4-carboxylate
Also Known As: ethyl 2-chloro-6-nitroquinoline-4-carboxylate, Ethyl 2-chloro-6-nitro-4-quinolinecarboxylate, 4-Quinolinecarboxylic acid, 2-chloro-6-nitro-, ethyl ester, ETHYL 2-CHLORO-6-NITRO-QUINOLINE-4-CARBOXYLATE, 4-Quinolinecarboxylic acid,2-chloro-6-nitro-,ethyl ester
| Molecular Formula | C12H9ClN2O4 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0251 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 55878-86-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | VIQXZRDQRFDHFL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-chloro-6-nitroquinoline-4-carboxylate (CAS 55878-86-9), with molecular formula C12H9ClN2O4 and molecular weight 280.03 g/mol. IUPAC: ethyl 2-chloro-6-nitroquinoline-4-carboxylate.
Chemical Property Profile of Ethyl 2-chloro-6-nitroquinoline-4-carboxylate
Property Insights of Ethyl 2-chloro-6-nitroquinoline-4-carboxylate
The XLogP value of 3.2 indicates that Ethyl 2-chloro-6-nitroquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-chloro-6-nitroquinoline-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-chloro-6-nitroquinoline-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 2-chloro-6-nitroquinoline-4-carboxylate?
The CAS number of Ethyl 2-chloro-6-nitroquinoline-4-carboxylate is 55878-86-9.
What is the molecular formula of Ethyl 2-chloro-6-nitroquinoline-4-carboxylate?
The molecular formula of Ethyl 2-chloro-6-nitroquinoline-4-carboxylate is C12H9ClN2O4.
What is the molecular weight of Ethyl 2-chloro-6-nitroquinoline-4-carboxylate?
The molecular weight of Ethyl 2-chloro-6-nitroquinoline-4-carboxylate is 280.03 g/mol.
Where can I buy Ethyl 2-chloro-6-nitroquinoline-4-carboxylate?
You can request a quote for Ethyl 2-chloro-6-nitroquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-6-nitroquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-6-nitroquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.