1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-
TL;DR: 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- (CAS 38874-41-8) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(4-ethoxyphenyl)-2-nitropropyl]-1,3-benzodioxole
Also Known As: 5-(1-(4-Ethoxyphenyl)-2-nitropropyl)-1,3-benzodioxole, 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-, 1,3-Benzodioxole, 5-(1-(p-ethoxyphenyl)-2-nitropropyl)-, 5-[1-(4-ethoxyphenyl)-2-nitropropyl]-1,3-benzodioxole, 5-[1-(4-ETHOXYPHENYL)-2-NITROPROPYL]-2H-1,3-BENZODIOXOLE
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 38874-41-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C(C)[N+](=O)[O-] |
| InChIKey | VFZMHRJXGTVTKJ-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- (CAS 38874-41-8), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: 5-[1-(4-ethoxyphenyl)-2-nitropropyl]-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-
Property Insights of 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-
The XLogP value of 4.0 indicates that 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- 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 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- 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 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-?
The CAS number of 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- is 38874-41-8.
What is the molecular formula of 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-?
The molecular formula of 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- is C18H19NO5.
What is the molecular weight of 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-?
The molecular weight of 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- is 329.13 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-?
You can request a quote for 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)-2-nitropropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.