1,2,3-Tri(benzyloxy)-5-nitrobenzene
TL;DR: 1,2,3-Tri(benzyloxy)-5-nitrobenzene (CAS 67953-22-4) is a chemical compound with molecular formula C27H23NO5 and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,2,3-tris(phenylmethoxy)benzene
Also Known As: 1,2,3-tri(benzyloxy)-5-nitrobenzene, Maybridge1_002036, 5-nitro-1,2,3-tris(phenylmethoxy)benzene, 5-nitro pyrogallol tribenzylether, KST-1B7343
| Molecular Formula | C27H23NO5 |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.15762 |
| Heavy Atoms | 33 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 67953-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)[N+](=O)[O-] |
| InChIKey | XBGQOFPCQXYIBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Tri(benzyloxy)-5-nitrobenzene (CAS 67953-22-4), with molecular formula C27H23NO5 and molecular weight 441.16 g/mol. IUPAC: 5-nitro-1,2,3-tris(phenylmethoxy)benzene.
Chemical Property Profile of 1,2,3-Tri(benzyloxy)-5-nitrobenzene
Property Insights of 1,2,3-Tri(benzyloxy)-5-nitrobenzene
The XLogP value of 6.1 indicates that 1,2,3-Tri(benzyloxy)-5-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Tri(benzyloxy)-5-nitrobenzene. Following Lipinski's Rule of Five, 1,2,3-Tri(benzyloxy)-5-nitrobenzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3-Tri(benzyloxy)-5-nitrobenzene?
The CAS number of 1,2,3-Tri(benzyloxy)-5-nitrobenzene is 67953-22-4.
What is the molecular formula of 1,2,3-Tri(benzyloxy)-5-nitrobenzene?
The molecular formula of 1,2,3-Tri(benzyloxy)-5-nitrobenzene is C27H23NO5.
What is the molecular weight of 1,2,3-Tri(benzyloxy)-5-nitrobenzene?
The molecular weight of 1,2,3-Tri(benzyloxy)-5-nitrobenzene is 441.16 g/mol.
Where can I buy 1,2,3-Tri(benzyloxy)-5-nitrobenzene?
You can request a quote for 1,2,3-Tri(benzyloxy)-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Tri(benzyloxy)-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Tri(benzyloxy)-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.