4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide
TL;DR: 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide (CAS 331417-52-8) is a chemical compound with molecular formula C17H12N4O5 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide
Also Known As: 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide, BAS 00388887, 4-Methyl-3,5-dinitro-N-quinolin-6-yl-benzamide, 3,5-bisnitro-4-methyl-N-(6-quinolinyl)benzamide, (4-methyl-3,5-dinitrophenyl)-N-(6-quinolyl)carboxamide
| Molecular Formula | C17H12N4O5 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 3.61192 |
| Topological Polar Surface Area | 128.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.08078 |
| Heavy Atoms | 26 |
| Complexity | 1028.9526 |
Chemical Identifiers
| CAS Number | 331417-52-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=CC=C3)[N+](=O)[O-] |
Product Overview
4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide (CAS 331417-52-8), with molecular formula C17H12N4O5 and molecular weight 352.08 g/mol. IUPAC: 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide.
Chemical Property Profile of 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide
Property Insights of 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide
The XLogP value of 3.61192 indicates that 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide. Following Lipinski's Rule of Five, 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide has 1 hydrogen bond donor(s) and 6 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 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide?
The CAS number of 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide is 331417-52-8.
What is the molecular formula of 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide?
The molecular formula of 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide is C17H12N4O5.
What is the molecular weight of 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide?
The molecular weight of 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide is 352.08 g/mol.
Where can I buy 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide?
You can request a quote for 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3,5-dinitro-N-quinolin-6-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.