![Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate structure](/static/products/5288/528893-52-9.webp)
Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate
TL;DR: Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate (CAS 528893-52-9) is a chemical compound with molecular formula C13H13ClN4O2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate
Also Known As: PKF050-638
| Molecular Formula | C13H13ClN4O2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.0727 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 528893-52-9 |
|---|---|
| SMILES | CCOC(=O)C=CN1C(=NC=N1)C2=C(C=CC(=C2)Cl)N |
| InChIKey | QWVNYBWNXRRADG-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate (CAS 528893-52-9), with molecular formula C13H13ClN4O2 and molecular weight 292.07 g/mol. IUPAC: ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate.
Chemical Property Profile of Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate
Property Insights of Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate 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 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate?
The CAS number of Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate is 528893-52-9.
What is the molecular formula of Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate?
The molecular formula of Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate is C13H13ClN4O2.
What is the molecular weight of Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate?
The molecular weight of Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate is 292.07 g/mol.
Where can I buy Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate?
You can request a quote for Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.