3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester
TL;DR: 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester (CAS 56515-91-4) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate
Also Known As: 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester, 1,2,4,5-Tetrahydro-11-methyl-3H-azepino(4,5-b)quinoline carboxylic acid ethyl ester, Ethyl 1,2,4,5-tetrahydro-11-methyl-3H-azepino(4,5-b)quinoline-3-carboxylate, ethyl 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate, 1,2,4,5 -Tetrahydro-11-methyl-3-azepino[4,5-b]quinoline-carboxylic acid ethyl ester
| Molecular Formula | C17H20N2O2 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 3.10032 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.15247 |
| Heavy Atoms | 21 |
| Complexity | 681.7896 |
Chemical Identifiers
| CAS Number | 56515-91-4 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C3=CC=CC=C3N=C2CC1)C |
Product Overview
3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester (CAS 56515-91-4), with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol. IUPAC: ethyl 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate.
Chemical Property Profile of 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester
Property Insights of 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester
The XLogP value of 3.10032 indicates that 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester 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 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester?
The CAS number of 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester is 56515-91-4.
What is the molecular formula of 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester?
The molecular formula of 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester is C17H20N2O2.
What is the molecular weight of 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester?
The molecular weight of 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester is 284.15 g/mol.
Where can I buy 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester?
You can request a quote for 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.