1,3-Bis(3-nitrophenoxy)benzene
TL;DR: 1,3-Bis(3-nitrophenoxy)benzene (CAS 54060-31-0) is a chemical compound with molecular formula C18H12N2O6 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-[3-(3-nitrophenoxy)phenoxy]benzene
Also Known As: 1,3-Bis(3-nitrophenoxy)benzene, 1,3-Bis benzene, Benzene, 1,3-bis(3-nitrophenoxy)-, 1,3-Bis(m-nitrophenoxy)benzene, 1,3-bis-(3-Nitrophenoxy)benzene
| Molecular Formula | C18H12N2O6 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.06955 |
| Heavy Atoms | 26 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 54060-31-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC(=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NYKPGQHPZCGOFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(3-nitrophenoxy)benzene (CAS 54060-31-0), with molecular formula C18H12N2O6 and molecular weight 352.07 g/mol. IUPAC: 1-nitro-3-[3-(3-nitrophenoxy)phenoxy]benzene.
Chemical Property Profile of 1,3-Bis(3-nitrophenoxy)benzene
Property Insights of 1,3-Bis(3-nitrophenoxy)benzene
The XLogP value of 4.5 indicates that 1,3-Bis(3-nitrophenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(3-nitrophenoxy)benzene. Following Lipinski's Rule of Five, 1,3-Bis(3-nitrophenoxy)benzene 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 1,3-Bis(3-nitrophenoxy)benzene?
The CAS number of 1,3-Bis(3-nitrophenoxy)benzene is 54060-31-0.
What is the molecular formula of 1,3-Bis(3-nitrophenoxy)benzene?
The molecular formula of 1,3-Bis(3-nitrophenoxy)benzene is C18H12N2O6.
What is the molecular weight of 1,3-Bis(3-nitrophenoxy)benzene?
The molecular weight of 1,3-Bis(3-nitrophenoxy)benzene is 352.07 g/mol.
Where can I buy 1,3-Bis(3-nitrophenoxy)benzene?
You can request a quote for 1,3-Bis(3-nitrophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(3-nitrophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(3-nitrophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.