Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate
TL;DR: Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate (CAS 77173-67-2) is a chemical compound with molecular formula C13H9ClN2O2 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-8-cyanoquinoline-3-carboxylate
Also Known As: ethyl 4-chloro-8-cyanoquinoline-3-carboxylate, 2050AC, Ethyl4-chloro-8-cyanoquinoline-3-carboxylate, s10356, Ethyl 4-Chloro-8-Cyano-3-Quinolinecarboxylate
| Molecular Formula | C13H9ClN2O2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 2.93658 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.03525 |
| Heavy Atoms | 18 |
| Complexity | 661.8242 |
Chemical Identifiers
| CAS Number | 77173-67-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C#N)Cl |
Product Overview
Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate (CAS 77173-67-2), with molecular formula C13H9ClN2O2 and molecular weight 260.04 g/mol. IUPAC: ethyl 4-chloro-8-cyanoquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate
Property Insights of Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate
The XLogP value of 2.93658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-chloro-8-cyanoquinoline-3-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 4-chloro-8-cyanoquinoline-3-carboxylate?
The CAS number of Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate is 77173-67-2.
What is the molecular formula of Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate?
The molecular formula of Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate is C13H9ClN2O2.
What is the molecular weight of Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate?
The molecular weight of Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate is 260.04 g/mol.
Where can I buy Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate?
You can request a quote for Ethyl 4-chloro-8-cyanoquinoline-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-8-cyanoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-8-cyanoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.