3,5-dinitro-N-pyrimidin-2-ylbenzamide
TL;DR: 3,5-dinitro-N-pyrimidin-2-ylbenzamide (CAS 333344-84-6) is a chemical compound with molecular formula C11H7N5O5 and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-pyrimidin-2-ylbenzamide
Also Known As: 3,5-dinitro-N-pyrimidin-2-ylbenzamide, 3,5-Dinitro-N-pyrimidin-2-yl-benzamide, 3,5-dinitro-N-(pyrimidin-2-yl)benzamide, N-(2-Pyrimidinyl)-3,5-dinitrobenzamide, BAS 00780828
| Molecular Formula | C11H7N5O5 |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 1.5453 |
| Topological Polar Surface Area | 141.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0447 |
| Heavy Atoms | 21 |
| Complexity | 685.9488 |
Chemical Identifiers
| CAS Number | 333344-84-6 |
|---|---|
| SMILES | C1=CN=C(N=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-dinitro-N-pyrimidin-2-ylbenzamide (CAS 333344-84-6), with molecular formula C11H7N5O5 and molecular weight 289.04 g/mol. IUPAC: 3,5-dinitro-N-pyrimidin-2-ylbenzamide.
Chemical Property Profile of 3,5-dinitro-N-pyrimidin-2-ylbenzamide
Property Insights of 3,5-dinitro-N-pyrimidin-2-ylbenzamide
The XLogP value of 1.5453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N-pyrimidin-2-ylbenzamide. The TPSA of 141.16 Ų indicates high polarity, suggesting 3,5-dinitro-N-pyrimidin-2-ylbenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-dinitro-N-pyrimidin-2-ylbenzamide 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 3,5-dinitro-N-pyrimidin-2-ylbenzamide?
The CAS number of 3,5-dinitro-N-pyrimidin-2-ylbenzamide is 333344-84-6.
What is the molecular formula of 3,5-dinitro-N-pyrimidin-2-ylbenzamide?
The molecular formula of 3,5-dinitro-N-pyrimidin-2-ylbenzamide is C11H7N5O5.
What is the molecular weight of 3,5-dinitro-N-pyrimidin-2-ylbenzamide?
The molecular weight of 3,5-dinitro-N-pyrimidin-2-ylbenzamide is 289.04 g/mol.
Where can I buy 3,5-dinitro-N-pyrimidin-2-ylbenzamide?
You can request a quote for 3,5-dinitro-N-pyrimidin-2-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dinitro-N-pyrimidin-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N-pyrimidin-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.