benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
TL;DR: benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate (CAS 40448-84-8) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
Also Known As: benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate, 1(2H)-Quinolinecarboxylic acid, phenylmethyl ester, benzyl 2-cyano-6-methylquinoline-1(2H)-carboxylate
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 40448-84-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OCC3=CC=CC=C3 |
| InChIKey | CXBYECDFYGEJPB-UHFFFAOYSA-N |
Product Overview
benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate (CAS 40448-84-8), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate.
Chemical Property Profile of benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
Property Insights of benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
The XLogP value of 3.9 indicates that benzyl 2-cyano-6-methyl-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, benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 2-cyano-6-methyl-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 benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate?
The CAS number of benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate is 40448-84-8.
What is the molecular formula of benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate?
The molecular formula of benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate is C19H16N2O2.
What is the molecular weight of benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate?
The molecular weight of benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate is 304.12 g/mol.
Where can I buy benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate?
You can request a quote for benzyl 2-cyano-6-methyl-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 benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.