5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide
TL;DR: 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide (CAS 941986-90-9) is a chemical compound with molecular formula C20H20ClN3O4 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzamide
Also Known As: F2049-0325, 5-chloro-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-nitrobenzamide, 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide, 5-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzamide
| Molecular Formula | C20H20ClN3O4 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 4.4357 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.11423 |
| Heavy Atoms | 28 |
| Complexity | 958.46216 |
Chemical Identifiers
| CAS Number | 941986-90-9 |
|---|---|
| SMILES | CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide (CAS 941986-90-9), with molecular formula C20H20ClN3O4 and molecular weight 401.11 g/mol. IUPAC: 5-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzamide.
Chemical Property Profile of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide
Property Insights of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide
The XLogP value of 4.4357 indicates that 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-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 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-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 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide?
The CAS number of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide is 941986-90-9.
What is the molecular formula of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide?
The molecular formula of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide is C20H20ClN3O4.
What is the molecular weight of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide?
The molecular weight of 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide is 401.11 g/mol.
Where can I buy 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide?
You can request a quote for 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(1-isobutyryl-1,2,3,4-tetrahydroquinolin-7-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.