1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
TL;DR: 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate (CAS 374098-27-8) is a chemical compound with molecular formula C26H20ClN3O7 and molecular weight 521.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethylquinolin-6-yl] 2-nitrobenzoate
Also Known As: 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate, 1-[(4-chloro-3-nitrophenyl)carbonyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate, [1-(4-chloro-3-nitro-benzoyl)-2,2,4-trimethyl-quinolin-6-yl] 2-nitrobenzoate, [1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethylquinolin-6-yl] 2-nitrobenzoate, 1-[(4-chloro-3-nitrophenyl)carbonyl]-2,2,4-trimethyl-6-1,2-dihydroquinolyl 2-n itrobenzoate
| Molecular Formula | C26H20ClN3O7 |
|---|---|
| Molecular Weight | 521.10 g/mol |
| LogP | 6.2179 |
| Topological Polar Surface Area | 132.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.099 |
| Heavy Atoms | 37 |
| Complexity | 1513.7551 |
Chemical Identifiers
| CAS Number | 374098-27-8 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])(C)C |
Product Overview
1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate (CAS 374098-27-8), with molecular formula C26H20ClN3O7 and molecular weight 521.10 g/mol. IUPAC: [1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethylquinolin-6-yl] 2-nitrobenzoate.
Chemical Property Profile of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
Property Insights of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate
The XLogP value of 6.2179 indicates that 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate. Following Lipinski's Rule of Five, 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate?
The CAS number of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate is 374098-27-8.
What is the molecular formula of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate?
The molecular formula of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate is C26H20ClN3O7.
What is the molecular weight of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate?
The molecular weight of 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate is 521.10 g/mol.
Where can I buy 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate?
You can request a quote for 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.