1,4-Dibenzyloxy-2-nitrobenzene
TL;DR: 1,4-Dibenzyloxy-2-nitrobenzene (CAS 51792-85-9) is a chemical compound with molecular formula C20H17NO4 and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-1,4-bis(phenylmethoxy)benzene
Also Known As: 1,4-DIBENZYLOXY-2-NITROBENZENE, 2-nitro-1,4-bis(phenylmethoxy)benzene, (((2-Nitro-1,4-phenylene)bis(oxy))bis(methylene))dibenzene, 2,5-Dibenzyloxynitrobenzene, 1,4-bis(benzyloxy)-2-nitrobenzene
| Molecular Formula | C20H17NO4 |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.11575 |
| Heavy Atoms | 25 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 51792-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | QDZFMSSFDIBXED-UHFFFAOYSA-N |
Product Overview
1,4-Dibenzyloxy-2-nitrobenzene (CAS 51792-85-9), with molecular formula C20H17NO4 and molecular weight 335.12 g/mol. IUPAC: 2-nitro-1,4-bis(phenylmethoxy)benzene.
Chemical Property Profile of 1,4-Dibenzyloxy-2-nitrobenzene
Property Insights of 1,4-Dibenzyloxy-2-nitrobenzene
The XLogP value of 4.7 indicates that 1,4-Dibenzyloxy-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dibenzyloxy-2-nitrobenzene. Following Lipinski's Rule of Five, 1,4-Dibenzyloxy-2-nitrobenzene has 0 hydrogen bond donor(s) and 4 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 1,4-Dibenzyloxy-2-nitrobenzene?
The CAS number of 1,4-Dibenzyloxy-2-nitrobenzene is 51792-85-9.
What is the molecular formula of 1,4-Dibenzyloxy-2-nitrobenzene?
The molecular formula of 1,4-Dibenzyloxy-2-nitrobenzene is C20H17NO4.
What is the molecular weight of 1,4-Dibenzyloxy-2-nitrobenzene?
The molecular weight of 1,4-Dibenzyloxy-2-nitrobenzene is 335.12 g/mol.
Where can I buy 1,4-Dibenzyloxy-2-nitrobenzene?
You can request a quote for 1,4-Dibenzyloxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibenzyloxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibenzyloxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.