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Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate
TL;DR: Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate (CAS 450400-52-9) is a chemical compound with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-4-(3-hydroxyanilino)quinoline-3-carboxylate
Also Known As: ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate, ethyl 6-chloro-4-(3-hydroxyanilino)quinoline-3-carboxylate, AP-906/41246021, ethyl 6-chloro-4-(3-hydroxyanilino)-3-quinolinecarboxylate
| Molecular Formula | C18H15ClN2O3 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.07712 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 450400-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC(=CC=C3)O)Cl |
| InChIKey | IWLFVBSFPFHJKB-UHFFFAOYSA-N |
Product Overview
Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate (CAS 450400-52-9), with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol. IUPAC: ethyl 6-chloro-4-(3-hydroxyanilino)quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate
Property Insights of Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate
The XLogP value of 4.8 indicates that Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate has 2 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 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate?
The CAS number of Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate is 450400-52-9.
What is the molecular formula of Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate?
The molecular formula of Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate is C18H15ClN2O3.
What is the molecular weight of Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate?
The molecular weight of Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate is 342.08 g/mol.
Where can I buy Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate?
You can request a quote for Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-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 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-chloro-4-[(3-hydroxyphenyl)amino]quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.