2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
TL;DR: 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CAS 90754-85-1) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Also Known As: 2-(1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole, 1,3,4-Oxadiazole, 2-(1,3-benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-, 2-(2H-1,3-BENZODIOXOL-5-YL)-5-(2,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOLE, RefChem:1060956
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 3.1581 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 952.84955 |
Chemical Identifiers
| CAS Number | 90754-85-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C2=NN=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC |
Product Overview
2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CAS 90754-85-1), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Property Insights of 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
The XLogP value of 3.1581 indicates that 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 8 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 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The CAS number of 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is 90754-85-1.
What is the molecular formula of 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The molecular formula of 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is C18H16N2O6.
What is the molecular weight of 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The molecular weight of 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is 356.10 g/mol.
Where can I buy 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
You can request a quote for 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-1,3-Benzodioxol-5-yl)-5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.