4'-Methoxy-2,4,6-trinitrobiphenyl
TL;DR: 4'-Methoxy-2,4,6-trinitrobiphenyl (CAS 5110-85-0) is a chemical compound with molecular formula C13H9N3O7 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-1,3,5-trinitrobenzene
Also Known As: 4'-methoxy-2,4,6-trinitrobiphenyl, 2-(4-methoxyphenyl)-1,3,5-trinitrobenzene, 2-(4-methoxyphenyl)-1,3,5-trinitro-benzene, 4'-METHOXY-2,4,6-TRINITRO-1,1'-BIPHENYL
| Molecular Formula | C13H9N3O7 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.04404 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 5110-85-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CTRCCGCGDWDRMU-UHFFFAOYSA-N |
Product Overview
4'-Methoxy-2,4,6-trinitrobiphenyl (CAS 5110-85-0), with molecular formula C13H9N3O7 and molecular weight 319.04 g/mol. IUPAC: 2-(4-methoxyphenyl)-1,3,5-trinitrobenzene.
Chemical Property Profile of 4'-Methoxy-2,4,6-trinitrobiphenyl
Property Insights of 4'-Methoxy-2,4,6-trinitrobiphenyl
The XLogP value of 3.0 indicates that 4'-Methoxy-2,4,6-trinitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 4'-Methoxy-2,4,6-trinitrobiphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Methoxy-2,4,6-trinitrobiphenyl has 0 hydrogen bond donor(s) and 7 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-2,4,6-trinitrobiphenyl?
The CAS number of 4'-Methoxy-2,4,6-trinitrobiphenyl is 5110-85-0.
What is the molecular formula of 4'-Methoxy-2,4,6-trinitrobiphenyl?
The molecular formula of 4'-Methoxy-2,4,6-trinitrobiphenyl is C13H9N3O7.
What is the molecular weight of 4'-Methoxy-2,4,6-trinitrobiphenyl?
The molecular weight of 4'-Methoxy-2,4,6-trinitrobiphenyl is 319.04 g/mol.
Where can I buy 4'-Methoxy-2,4,6-trinitrobiphenyl?
You can request a quote for 4'-Methoxy-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 4'-Methoxy-2,4,6-trinitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methoxy-2,4,6-trinitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.