Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate
TL;DR: Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate (CAS 577980-90-6) is a chemical compound with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate
Also Known As: Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate
| Molecular Formula | C19H19N3O2 |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 3.11388 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.14774 |
| Heavy Atoms | 24 |
| Complexity | 835.1709 |
Chemical Identifiers
| CAS Number | 577980-90-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate (CAS 577980-90-6), with molecular formula C19H19N3O2 and molecular weight 321.15 g/mol. IUPAC: methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate.
Chemical Property Profile of Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate
Property Insights of Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate
The XLogP value of 3.11388 indicates that Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate has 1 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 Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate?
The CAS number of Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate is 577980-90-6.
What is the molecular formula of Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate?
The molecular formula of Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate is C19H19N3O2.
What is the molecular weight of Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate?
The molecular weight of Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate is 321.15 g/mol.
Where can I buy Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate?
You can request a quote for Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.