3,5-Dinitro-1,1'-biphenyl
TL;DR: 3,5-Dinitro-1,1'-biphenyl (CAS 4479-74-7) is a chemical compound with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitro-5-phenylbenzene
Also Known As: 3,5-Dinitro-1,1'-biphenyl, 3,5-dinitrobiphenyl, 1,3-dinitro-5-phenylbenzene, 1,1-Biphenyl, 3,5-dinitro-, 1,1'-Biphenyl, 3,5-dinitro-
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0484 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 4479-74-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CMZJLRGGVLHBMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitro-1,1'-biphenyl (CAS 4479-74-7), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: 1,3-dinitro-5-phenylbenzene.
Chemical Property Profile of 3,5-Dinitro-1,1'-biphenyl
Property Insights of 3,5-Dinitro-1,1'-biphenyl
The XLogP value of 3.2 indicates that 3,5-Dinitro-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitro-1,1'-biphenyl. Following Lipinski's Rule of Five, 3,5-Dinitro-1,1'-biphenyl has 0 hydrogen bond donor(s) and 4 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-1,1'-biphenyl?
The CAS number of 3,5-Dinitro-1,1'-biphenyl is 4479-74-7.
What is the molecular formula of 3,5-Dinitro-1,1'-biphenyl?
The molecular formula of 3,5-Dinitro-1,1'-biphenyl is C12H8N2O4.
What is the molecular weight of 3,5-Dinitro-1,1'-biphenyl?
The molecular weight of 3,5-Dinitro-1,1'-biphenyl is 244.05 g/mol.
Where can I buy 3,5-Dinitro-1,1'-biphenyl?
You can request a quote for 3,5-Dinitro-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 3,5-Dinitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.