4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide
TL;DR: 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide (CAS 331719-39-2) is a chemical compound with molecular formula C14H10N4O7 and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide
Also Known As: BAS 00488134, 3,5-bisnitro-N-{4-nitrophenyl}-4-methylbenzamide, 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide, 4-Methyl-3,5-dinitro-N-(4-nitro-phenyl)-benzamide
| Molecular Formula | C14H10N4O7 |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 2.97192 |
| Topological Polar Surface Area | 158.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.05496 |
| Heavy Atoms | 25 |
| Complexity | 857.5484 |
Chemical Identifiers
| CAS Number | 331719-39-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide (CAS 331719-39-2), with molecular formula C14H10N4O7 and molecular weight 346.05 g/mol. IUPAC: 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide
Property Insights of 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide
The XLogP value of 2.97192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide. The TPSA of 158.52 Ų indicates high polarity, suggesting 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide has 1 hydrogen bond donor(s) and 7 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-(4-nitrophenyl)benzamide?
The CAS number of 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide is 331719-39-2.
What is the molecular formula of 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide?
The molecular formula of 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide is C14H10N4O7.
What is the molecular weight of 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide?
The molecular weight of 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide is 346.05 g/mol.
Where can I buy 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide?
You can request a quote for 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide 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-(4-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3,5-dinitro-N-(4-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.