3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl
TL;DR: 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl (CAS 70862-29-2) is a chemical compound with molecular formula C13H7N5O10 and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitrobenzene
Also Known As: 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl, 2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitrobenzene
| Molecular Formula | C13H7N5O10 |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 393.0193 |
| Heavy Atoms | 28 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 70862-29-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QFHXXZWSRJRXBK-UHFFFAOYSA-N |
Product Overview
3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl (CAS 70862-29-2), with molecular formula C13H7N5O10 and molecular weight 393.02 g/mol. IUPAC: 2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitrobenzene.
Chemical Property Profile of 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl
Property Insights of 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl
The XLogP value of 3.1 indicates that 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.0 Ų indicates high polarity, suggesting 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl has 0 hydrogen bond donor(s) and 10 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-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl?
The CAS number of 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl is 70862-29-2.
What is the molecular formula of 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl?
The molecular formula of 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl is C13H7N5O10.
What is the molecular weight of 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl?
The molecular weight of 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl is 393.02 g/mol.
Where can I buy 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl?
You can request a quote for 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,2',4,4',6-pentanitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.