ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate
TL;DR: ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate (CAS 60330-12-3) is a chemical compound with molecular formula C11H10F3N3O2 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate
Also Known As: BAY-f 1936, Ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate, ethyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate, 3-amino-5-trifluoromethyl-indazole-1-carboxylic acid ethyl ester, 1H-Indazole-1-carboxylicacid, 3-amino-5-(trifluoromethyl)-, ethyl ester
| Molecular Formula | C11H10F3N3O2 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0725 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 60330-12-3 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(C=C(C=C2)C(F)(F)F)C(=N1)N |
| InChIKey | UGXOEWBGAICBHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate (CAS 60330-12-3), with molecular formula C11H10F3N3O2 and molecular weight 273.07 g/mol. IUPAC: ethyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate.
Chemical Property Profile of ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate
Property Insights of ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate has 1 hydrogen bond donor(s) and 7 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-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate?
The CAS number of ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate is 60330-12-3.
What is the molecular formula of ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate?
The molecular formula of ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate is C11H10F3N3O2.
What is the molecular weight of ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate?
The molecular weight of ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate is 273.07 g/mol.
Where can I buy ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate?
You can request a quote for ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.