3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl- (CAS 108132-91-8) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one
Also Known As: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-, 2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-3H-1,2,4-triazol-3-one, 3-(1,3-benzodioxol-5-yl)-4-ethyl-1H-1,2,4-triazol-5-one, 3H-1,2,4-Triazol-3-one,5-(1,3-benzodioxol-5-yl)-4-ethyl-2,4-dihydro-, 3-(Benzo[d][1,3]dioxol-5-yl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one
Technical Specifications
| Molecular Formula | C11H11N3O3 |
| Molecular Weight | 233.08005 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.08005 Da |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
| SMILES | CCN1C(=NNC1=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | MTTOIYLOOURSTB-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl- is 108132-91-8.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl- is C11H11N3O3.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl- is 233.08005 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl-?
Yes, CoreyChem provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.