4-Amino-2,6-dinitrobiphenyl
TL;DR: 4-Amino-2,6-dinitrobiphenyl (CAS 136861-00-2) is a chemical compound with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-4-phenylaniline
Also Known As: 4-Amino-2,6-dinitrobiphenyl, 3,5-dinitro-4-phenylaniline, [1,1'-Biphenyl]-4-amine,2,6-dinitro-, 2,6-Dinitro[1,1'-biphenyl]-4-amine, 2,6-DINITRO(1,1'-BIPHENYL)-4-AMINE
| Molecular Formula | C12H9N3O4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0593 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 136861-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C=C(C=C2[N+](=O)[O-])N)[N+](=O)[O-] |
| InChIKey | SFOZSUOXRHKVCL-UHFFFAOYSA-N |
Product Overview
4-Amino-2,6-dinitrobiphenyl (CAS 136861-00-2), with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol. IUPAC: 3,5-dinitro-4-phenylaniline.
Chemical Property Profile of 4-Amino-2,6-dinitrobiphenyl
Property Insights of 4-Amino-2,6-dinitrobiphenyl
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,6-dinitrobiphenyl. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2,6-dinitrobiphenyl. Following Lipinski's Rule of Five, 4-Amino-2,6-dinitrobiphenyl has 1 hydrogen bond donor(s) and 5 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 4-Amino-2,6-dinitrobiphenyl?
The CAS number of 4-Amino-2,6-dinitrobiphenyl is 136861-00-2.
What is the molecular formula of 4-Amino-2,6-dinitrobiphenyl?
The molecular formula of 4-Amino-2,6-dinitrobiphenyl is C12H9N3O4.
What is the molecular weight of 4-Amino-2,6-dinitrobiphenyl?
The molecular weight of 4-Amino-2,6-dinitrobiphenyl is 259.06 g/mol.
Where can I buy 4-Amino-2,6-dinitrobiphenyl?
You can request a quote for 4-Amino-2,6-dinitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2,6-dinitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2,6-dinitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.