5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
TL;DR: 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CAS 67829-27-0) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Also Known As: 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol, 5-benzo[1,3]dioxol-5-yl-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine, 5-(2H-1,3-Benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 67829-27-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=NN=C(O2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | MXQFLBXWIIRXIW-UHFFFAOYSA-N |
Product Overview
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CAS 67829-27-0), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
Chemical Property Profile of 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Property Insights of 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
The XLogP value of 3.1 indicates that 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine has 1 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The CAS number of 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is 67829-27-0.
What is the molecular formula of 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The molecular formula of 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is C16H13N3O4.
What is the molecular weight of 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The molecular weight of 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine is 311.09 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
You can request a quote for 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.