4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)
TL;DR: 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) (CAS 14467-60-8) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-[5-(4-nitrophenoxy)pentoxy]benzene
Also Known As: 1,5-bis(4-nitrophenoxy)pentane, 1-nitro-4-[5-(4-nitrophenoxy)pentoxy]benzene, 1,5-Bis(4-nitro-benzene-1-oxy)pentane, 4,4'-(PENTAMETHYLENEDIOXY)-BIS-(NITROBENZENE), 1-nitro-4-{[5-(4-nitrophenoxy)pentyl]oxy}benzene
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 14467-60-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCCCCCOC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PALCOFOSTAKMDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) (CAS 14467-60-8), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: 1-nitro-4-[5-(4-nitrophenoxy)pentoxy]benzene.
Chemical Property Profile of 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)
Property Insights of 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)
The XLogP value of 4.8 indicates that 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) 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 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene). Following Lipinski's Rule of Five, 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) 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 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)?
The CAS number of 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) is 14467-60-8.
What is the molecular formula of 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)?
The molecular formula of 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) is C17H18N2O6.
What is the molecular weight of 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)?
The molecular weight of 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) is 346.12 g/mol.
Where can I buy 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)?
You can request a quote for 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Pentamethylenedioxy)-bis-(nitrobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.