ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate
TL;DR: ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate (CAS 191979-02-9) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate
Also Known As: ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate, J2.153.236C, Ethyl 6-acetamido-2-cyanoquinoline-1(2H)-carboxylate, ethyl 2-cyano-6-acetamido-1,2-dihydroquinoline-1-carboxylate, Ethyl 6-(acetylamino)-2-cyano-1,2-dihydroquinolinecarboxylate
| Molecular Formula | C15H15N3O3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.11133 |
| Heavy Atoms | 21 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 191979-02-9 |
|---|---|
| SMILES | CCOC(=O)N1C(C=CC2=C1C=CC(=C2)NC(=O)C)C#N |
| InChIKey | PWAIEYVGHRQAPR-UHFFFAOYSA-N |
Product Overview
ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate (CAS 191979-02-9), with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol. IUPAC: ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate.
Chemical Property Profile of ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate
Property Insights of ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate. Following Lipinski's Rule of Five, ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate has 1 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 6-acetamido-2-cyano-2H-quinoline-1-carboxylate?
The CAS number of ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate is 191979-02-9.
What is the molecular formula of ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate?
The molecular formula of ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate is C15H15N3O3.
What is the molecular weight of ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate?
The molecular weight of ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate is 285.11 g/mol.
Where can I buy ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate?
You can request a quote for ethyl 6-acetamido-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-acetamido-2-cyano-2H-quinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.