![Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate structure](/static/products/1023/1023502-19-3.webp)
Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate
TL;DR: Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate (CAS 1023502-19-3) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.08585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate
Also Known As: ethyl 2-(4-benzo[d]1,3-dioxolen-5-yl-5-nitrilo-1,2,3-triazolyl)acetate, ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate, Ethyl 2-(4-benzo[1,3]dioxol-5-yl-5-cyano-triazol-1-yl)acetate, ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyano-triazol-1-yl]acetate, ethyl 2-[4-(2H-1,3-benzodioxol-5-yl)-5-cyano-1H-1,2,3-triazol-1-yl]acetate
Technical Specifications
| Molecular Formula | C14H12N4O4 |
| Molecular Weight | 300.08585 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.08585 Da |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
| SMILES | CCOC(=O)CN1C(=C(N=N1)C2=CC3=C(C=C2)OCO3)C#N |
| InChIKey | JQDSXDDHWKNWFV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate
Property Insights of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate?
The CAS number of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate is 1023502-19-3.
What is the molecular formula of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate?
The molecular formula of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate is C14H12N4O4.
What is the molecular weight of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate?
The molecular weight of Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate is 300.08585 g/mol.
Where can I buy Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate?
You can request a quote for Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-[4-(1,3-benzodioxol-5-yl)-5-cyanotriazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.