2,4,6-三硝基苯硝胺
TL;DR: 2,4,6-三硝基苯硝胺 (CAS 4591-46-2) is a chemical compound with molecular formula C6H3N5O8 and molecular weight 273.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-三硝基苯硝胺
N-(2,4,6-trinitrophenyl)nitramide
Also Known As: 2,4,6-Trinitrophenyl nitramine, N,2,4,6-tetranitroaniline, N-(2,4,6-trinitrophenyl)nitramide, 2,4,6-Trinitrophenyl nitramine [Forbidden], RefChem:245870
| Molecular Formula | C6H3N5O8 |
|---|---|
| Molecular Weight | 273.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.99817 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 4591-46-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ILAITCKMDANMOP-UHFFFAOYSA-N |
Product Overview
2,4,6-三硝基苯硝胺 (CAS 4591-46-2), with molecular formula C6H3N5O8 and molecular weight 273.00 g/mol. IUPAC: N-(2,4,6-trinitrophenyl)nitramide.
Chemical Property Profile of 2,4,6-三硝基苯硝胺
Property Insights of 2,4,6-三硝基苯硝胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-三硝基苯硝胺. The TPSA of 195.0 Ų indicates high polarity, suggesting 2,4,6-三硝基苯硝胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-三硝基苯硝胺 has 1 hydrogen bond donor(s) and 9 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 2,4,6-三硝基苯硝胺?
The CAS number of 2,4,6-三硝基苯硝胺 is 4591-46-2.
What is the molecular formula of 2,4,6-三硝基苯硝胺?
The molecular formula of 2,4,6-三硝基苯硝胺 is C6H3N5O8.
What is the molecular weight of 2,4,6-三硝基苯硝胺?
The molecular weight of 2,4,6-三硝基苯硝胺 is 273.00 g/mol.
Where can I buy 2,4,6-三硝基苯硝胺?
You can request a quote for 2,4,6-三硝基苯硝胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-三硝基苯硝胺?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-三硝基苯硝胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.