ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate
TL;DR: ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate (CAS 40448-88-2) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate
Also Known As: ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate, ethyl 6-chloro-2-cyanoquinoline-1(2H)-carboxylate
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 40448-88-2 |
|---|---|
| SMILES | CCOC(=O)N1C(C=CC2=C1C=CC(=C2)Cl)C#N |
| InChIKey | CKQUGJCOKOFAMD-UHFFFAOYSA-N |
Product Overview
ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate (CAS 40448-88-2), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate.
Chemical Property Profile of ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate
Property Insights of ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate
The XLogP value of 3.0 indicates that ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 6-chloro-2-cyano-2H-quinoline-1-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 6-chloro-2-cyano-2H-quinoline-1-carboxylate?
The CAS number of ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate is 40448-88-2.
What is the molecular formula of ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate?
The molecular formula of ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate is C13H11ClN2O2.
What is the molecular weight of ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate?
The molecular weight of ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate is 262.05 g/mol.
Where can I buy ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate?
You can request a quote for ethyl 6-chloro-2-cyano-2H-quinoline-1-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-2-cyano-2H-quinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-chloro-2-cyano-2H-quinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.