ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate
TL;DR: ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate (CAS 100159-13-5) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methyl-2-(1,2,4-triazol-1-yl)propanoate
Also Known As: ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate, ethylmethyltriazolylpropanoate, ethyl 2-methyl-2-(1,2,4-triazol-1-yl)propanoate, ethyl 2-methyl-2-(1,2,4-triazolyl)propanoate, 10E-058
Technical Specifications
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.10077 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.10077 Da |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
| SMILES | CCOC(=O)C(C)(C)N1C=NC=N1 |
| InChIKey | KEZINXZYOGWBDR-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate
Property Insights of ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate. With a topological polar surface area (TPSA) of 57.0 Ų, ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate has 0 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 ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate?
The CAS number of ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate is 100159-13-5.
What is the molecular formula of ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate?
The molecular formula of ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate is C8H13N3O2.
What is the molecular weight of ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate?
The molecular weight of ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate is 183.10077 g/mol.
Where can I buy ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate?
You can request a quote for ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.