5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
TL;DR: 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (CAS 14731-90-9) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
Also Known As: 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine, 2-Amino-5-piperonyl-1,3,4-oxadizole, 5-(benzo[d][1,3]dioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine, 5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-amine, 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine #
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 14731-90-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)N |
| InChIKey | WEBXIJWZRFPIPF-UHFFFAOYSA-N |
Product Overview
5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine (CAS 14731-90-9), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
Property Insights of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine has 1 hydrogen bond donor(s) and 6 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-ylmethyl)-1,3,4-oxadiazol-2-amine?
The CAS number of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is 14731-90-9.
What is the molecular formula of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The molecular formula of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is C10H9N3O3.
What is the molecular weight of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
The molecular weight of 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine is 219.06 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine?
You can request a quote for 5-(1,3-Benzodioxol-5-ylmethyl)-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-ylmethyl)-1,3,4-oxadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.