4'-Methoxy-2,4-dinitro-1,1'-biphenyl
TL;DR: 4'-Methoxy-2,4-dinitro-1,1'-biphenyl (CAS 87439-44-9) is a chemical compound with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2,4-dinitrobenzene
Also Known As: 2,4-Dinitro-4'-methoxybiphenyl, 2',4'-dinitrobiphenyl-4-yl methyl ether, 2,4-Dinitro-4 -methoxybiphenyl, 4'-Methoxy-2,4-dinitro-1,1'-biphenyl, 1-(4-methoxyphenyl)-2,4-dinitrobenzene
| Molecular Formula | C13H10N2O5 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.05896 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 87439-44-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | TZCFWLIFZPVEDU-UHFFFAOYSA-N |
Product Overview
4'-Methoxy-2,4-dinitro-1,1'-biphenyl (CAS 87439-44-9), with molecular formula C13H10N2O5 and molecular weight 274.06 g/mol. IUPAC: 1-(4-methoxyphenyl)-2,4-dinitrobenzene.
Chemical Property Profile of 4'-Methoxy-2,4-dinitro-1,1'-biphenyl
Property Insights of 4'-Methoxy-2,4-dinitro-1,1'-biphenyl
The XLogP value of 3.2 indicates that 4'-Methoxy-2,4-dinitro-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methoxy-2,4-dinitro-1,1'-biphenyl. Following Lipinski's Rule of Five, 4'-Methoxy-2,4-dinitro-1,1'-biphenyl has 0 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'-Methoxy-2,4-dinitro-1,1'-biphenyl?
The CAS number of 4'-Methoxy-2,4-dinitro-1,1'-biphenyl is 87439-44-9.
What is the molecular formula of 4'-Methoxy-2,4-dinitro-1,1'-biphenyl?
The molecular formula of 4'-Methoxy-2,4-dinitro-1,1'-biphenyl is C13H10N2O5.
What is the molecular weight of 4'-Methoxy-2,4-dinitro-1,1'-biphenyl?
The molecular weight of 4'-Methoxy-2,4-dinitro-1,1'-biphenyl is 274.06 g/mol.
Where can I buy 4'-Methoxy-2,4-dinitro-1,1'-biphenyl?
You can request a quote for 4'-Methoxy-2,4-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 4'-Methoxy-2,4-dinitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methoxy-2,4-dinitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.