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 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, ethyl2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | 0.5763 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 279.58905 |
Chemical Identifiers
| CAS Number | 100159-13-5 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)N1C=NC=N1 |
Product Overview
ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate (CAS 100159-13-5), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: ethyl 2-methyl-2-(1,2,4-triazol-1-yl)propanoate.
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 0.5763 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 57.01 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
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 183.10 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-methyl-2-(1H-1,2,4-triazol-1-yl)propanoate?
Yes, KEHONG BIO 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.