1,3-Bis(4-nitrophenoxy)propane
TL;DR: 1,3-Bis(4-nitrophenoxy)propane (CAS 3722-79-0) is a chemical compound with molecular formula C15H14N2O6 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[3-(4-nitrophenoxy)propoxy]benzene
Also Known As: 1,3-Bis-(p-nitrophenoxy)propane, 1,3-Bis(4-nitrophenoxy)propane, Maybridge1_005919, NCIOpen2_009132, 1-Nitro-4-[3-(4-nitrophenoxy)propoxy]benzene
| Molecular Formula | C15H14N2O6 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.08517 |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 3722-79-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCCCOC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LWXLFOWPHMXKCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(4-nitrophenoxy)propane (CAS 3722-79-0), with molecular formula C15H14N2O6 and molecular weight 318.09 g/mol. IUPAC: 1-nitro-4-[3-(4-nitrophenoxy)propoxy]benzene.
Chemical Property Profile of 1,3-Bis(4-nitrophenoxy)propane
Property Insights of 1,3-Bis(4-nitrophenoxy)propane
The XLogP value of 3.6 indicates that 1,3-Bis(4-nitrophenoxy)propane 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(4-nitrophenoxy)propane. Following Lipinski's Rule of Five, 1,3-Bis(4-nitrophenoxy)propane 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(4-nitrophenoxy)propane?
The CAS number of 1,3-Bis(4-nitrophenoxy)propane is 3722-79-0.
What is the molecular formula of 1,3-Bis(4-nitrophenoxy)propane?
The molecular formula of 1,3-Bis(4-nitrophenoxy)propane is C15H14N2O6.
What is the molecular weight of 1,3-Bis(4-nitrophenoxy)propane?
The molecular weight of 1,3-Bis(4-nitrophenoxy)propane is 318.09 g/mol.
Where can I buy 1,3-Bis(4-nitrophenoxy)propane?
You can request a quote for 1,3-Bis(4-nitrophenoxy)propane 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(4-nitrophenoxy)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-nitrophenoxy)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.