![ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate structure](/static/products/866/866131-77-3.png)
ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
TL;DR: ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 866131-77-3) is a chemical compound with molecular formula C14H17F3N4O3 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
Also Known As: ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate, ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxy-butyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate, ethyl1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
| Molecular Formula | C14H17F3N4O3 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 1.8702 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.12527 |
| Heavy Atoms | 24 |
| Complexity | 729.85834 |
Chemical Identifiers
| CAS Number | 866131-77-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C(=C1NCCC(C(F)(F)F)O)C=NN2C |
Product Overview
ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 866131-77-3), with molecular formula C14H17F3N4O3 and molecular weight 346.13 g/mol. IUPAC: ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate.
Chemical Property Profile of ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Property Insights of ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
The XLogP value of 1.8702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate has 2 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 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The CAS number of ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is 866131-77-3.
What is the molecular formula of ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The molecular formula of ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is C14H17F3N4O3.
What is the molecular weight of ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The molecular weight of ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is 346.13 g/mol.
Where can I buy ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
You can request a quote for ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-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 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-methyl-4-[(4,4,4-trifluoro-3-hydroxybutyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.