ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate
TL;DR: ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate (CAS 883290-90-2) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate
Also Known As: starbld0010977, CBI-BB ZERO/005511, CBI-BBZERO/005511, ZERO/005511, ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 0.9723 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 495.18234 |
Chemical Identifiers
| CAS Number | 883290-90-2 |
|---|---|
| SMILES | CCOC(=O)CC1=NC(=NN1)C2=CN=CC=C2 |
Product Overview
ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate (CAS 883290-90-2), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate.
Chemical Property Profile of ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate
Property Insights of ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate
The XLogP value of 0.9723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate has 1 hydrogen bond donor(s) and 5 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-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate?
The CAS number of ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate is 883290-90-2.
What is the molecular formula of ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate?
The molecular formula of ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate is C11H12N4O2.
What is the molecular weight of ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate?
The molecular weight of ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate is 232.10 g/mol.
Where can I buy ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate?
You can request a quote for ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.