![5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole structure](/static/products/1091/109161-83-3.webp)
5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole
TL;DR: 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole (CAS 109161-83-3) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-nitrophenyl)methoxy]-1,3-benzodioxole
Also Known As: 5-[(4-nitrobenzyl)oxy]-1,3-benzodioxole, 5-[(4-nitrophenyl)methoxy]-1,3-benzodioxole, 5-((4-Nitrobenzyl)oxy)benzo[d][1,3]dioxole, 5-(4-Nitrobenzyl)oxy-1,3-benzodioxole, 5-[(4-NITROPHENYL)METHOXY]-2H-1,3-BENZODIOXOLE
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.9025 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 638.5126 |
Chemical Identifiers
| CAS Number | 109161-83-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole (CAS 109161-83-3), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: 5-[(4-nitrophenyl)methoxy]-1,3-benzodioxole.
Chemical Property Profile of 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole
Property Insights of 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole
The XLogP value of 2.9025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole has 0 hydrogen bond donor(s) and 5 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 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole?
The CAS number of 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole is 109161-83-3.
What is the molecular formula of 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole?
The molecular formula of 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole is C14H11NO5.
What is the molecular weight of 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole?
The molecular weight of 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole is 273.06 g/mol.
Where can I buy 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole?
You can request a quote for 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Nitrobenzyl)oxy]-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.