4-Methyl-3,5-dinitrobenzamide
TL;DR: 4-Methyl-3,5-dinitrobenzamide (CAS 4551-76-2) is a chemical compound with molecular formula C8H7N3O5 and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3,5-dinitrobenzamide
Also Known As: 4-Methyl-3,5-dinitrobenzamide, 3,5-Dinitro-4-methylbenzamide, 4-Methyl-3,5-dinitro-benzamide, Benzamide, 4-methyl-3,5-dinitro-, benzamide, 3,5-dinitro-4-methyl-
| Molecular Formula | C8H7N3O5 |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 0.91032 |
| Topological Polar Surface Area | 129.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.03857 |
| Heavy Atoms | 16 |
| Complexity | 461.4423 |
Chemical Identifiers
| CAS Number | 4551-76-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N)[N+](=O)[O-] |
Product Overview
4-Methyl-3,5-dinitrobenzamide (CAS 4551-76-2), with molecular formula C8H7N3O5 and molecular weight 225.04 g/mol. IUPAC: 4-methyl-3,5-dinitrobenzamide.
Chemical Property Profile of 4-Methyl-3,5-dinitrobenzamide
Property Insights of 4-Methyl-3,5-dinitrobenzamide
The XLogP value of 0.91032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3,5-dinitrobenzamide. The TPSA of 129.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, 4-Methyl-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 5 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-dinitrobenzamide?
The CAS number of 4-Methyl-3,5-dinitrobenzamide is 4551-76-2.
What is the molecular formula of 4-Methyl-3,5-dinitrobenzamide?
The molecular formula of 4-Methyl-3,5-dinitrobenzamide is C8H7N3O5.
What is the molecular weight of 4-Methyl-3,5-dinitrobenzamide?
The molecular weight of 4-Methyl-3,5-dinitrobenzamide is 225.04 g/mol.
Where can I buy 4-Methyl-3,5-dinitrobenzamide?
You can request a quote for 4-Methyl-3,5-dinitrobenzamide 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-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.