2,4,6-Trinitrobiphenyl
TL;DR: 2,4,6-Trinitrobiphenyl (CAS 29128-23-2) is a chemical compound with molecular formula C12H7N3O6 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trinitro-2-phenylbenzene
Also Known As: Picrylbenzene, 2,4,6-Trinitrobiphenyl, 2,4,6-Trinitro-1,1'-biphenyl, 2,4,6-Trinitrodiphenyl, Biphenyl, 2,4,6-trinitro-
| Molecular Formula | C12H7N3O6 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.03348 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 29128-23-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KXXIUGHYTQVIRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trinitrobiphenyl (CAS 29128-23-2), with molecular formula C12H7N3O6 and molecular weight 289.03 g/mol. IUPAC: 1,3,5-trinitro-2-phenylbenzene.
Chemical Property Profile of 2,4,6-Trinitrobiphenyl
Property Insights of 2,4,6-Trinitrobiphenyl
The XLogP value of 3.0 indicates that 2,4,6-Trinitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trinitrobiphenyl. Following Lipinski's Rule of Five, 2,4,6-Trinitrobiphenyl has 0 hydrogen bond donor(s) and 6 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-Trinitrobiphenyl?
The CAS number of 2,4,6-Trinitrobiphenyl is 29128-23-2.
What is the molecular formula of 2,4,6-Trinitrobiphenyl?
The molecular formula of 2,4,6-Trinitrobiphenyl is C12H7N3O6.
What is the molecular weight of 2,4,6-Trinitrobiphenyl?
The molecular weight of 2,4,6-Trinitrobiphenyl is 289.03 g/mol.
Where can I buy 2,4,6-Trinitrobiphenyl?
You can request a quote for 2,4,6-Trinitrobiphenyl 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-Trinitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.