N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide
TL;DR: N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide (CAS 941900-65-8) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-4-nitrobenzamide
Also Known As: F2049-0327, 3-methyl-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-nitrobenzamide, N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide, 3-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-4-nitrobenzamide
| Molecular Formula | C21H23N3O4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 4.09072 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.16885 |
| Heavy Atoms | 28 |
| Complexity | 952.66205 |
Chemical Identifiers
| CAS Number | 941900-65-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2)[N+](=O)[O-] |
Product Overview
N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide (CAS 941900-65-8), with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol. IUPAC: 3-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-4-nitrobenzamide.
Chemical Property Profile of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide
Property Insights of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide
The XLogP value of 4.09072 indicates that N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide 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 N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide?
The CAS number of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide is 941900-65-8.
What is the molecular formula of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide?
The molecular formula of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide is C21H23N3O4.
What is the molecular weight of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide?
The molecular weight of N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide is 381.17 g/mol.
Where can I buy N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide?
You can request a quote for N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.