![ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate structure](/static/products/866/866136-95-0.png)
ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
TL;DR: ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 866136-95-0) is a chemical compound with molecular formula C13H15F3N4O3 and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-amino-1,1,1-trifluoropropan-2-yl)oxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
Also Known As: ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, ethyl 4-(3-amino-1,1,1-trifluoropropan-2-yl)oxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate, ethyl 4-[(3-amino-1,1,1-trifluoropropan-2-yl)oxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, ethyl4-[(3-amino-1,1,1-trifluoropropan-2-yl)oxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
| Molecular Formula | C13H15F3N4O3 |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 1.4134 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.10962 |
| Heavy Atoms | 23 |
| Complexity | 714.288 |
Chemical Identifiers
| CAS Number | 866136-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C(=C1OC(CN)C(F)(F)F)C=NN2C |
Product Overview
ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 866136-95-0), with molecular formula C13H15F3N4O3 and molecular weight 332.11 g/mol. IUPAC: ethyl 4-(3-amino-1,1,1-trifluoropropan-2-yl)oxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
Chemical Property Profile of ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Property Insights of ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
The XLogP value of 1.4134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate has 1 hydrogen bond donor(s) and 6 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 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The CAS number of ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is 866136-95-0.
What is the molecular formula of ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The molecular formula of ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is C13H15F3N4O3.
What is the molecular weight of ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The molecular weight of ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is 332.11 g/mol.
Where can I buy ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
You can request a quote for ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[1-(aminomethyl)-2,2,2-trifluoroethoxy]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.