8T-0033
TL;DR: 8T-0033 (CAS 866136-99-4) is a chemical compound with molecular formula C22H12F8N4O2 and molecular weight 516.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
Also Known As: 8T-0033, 2,3,4,5,6-pentafluorophenyl 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, (2,3,4,5,6-pentafluorophenyl) 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate, 2,3,4,5,6-pentafluorophenyl 1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, 2,3,4,5,6-PENTAFLUOROPHENYL 1-METHYL-4-([3-(TRIFLUOROMETHYL)BENZYL]AMINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
| Molecular Formula | C22H12F8N4O2 |
|---|---|
| Molecular Weight | 516.08 g/mol |
| LogP | 5.5139 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.08325 |
| Heavy Atoms | 36 |
| Complexity | 1470.9128 |
Chemical Identifiers
| CAS Number | 866136-99-4 |
|---|---|
| SMILES | CN1C2=NC=C(C(=C2C=N1)NCC3=CC(=CC=C3)C(F)(F)F)C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F |
Product Overview
8T-0033 (CAS 866136-99-4), with molecular formula C22H12F8N4O2 and molecular weight 516.08 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate.
Chemical Property Profile of 8T-0033
Property Insights of 8T-0033
The XLogP value of 5.5139 indicates that 8T-0033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 8T-0033. Following Lipinski's Rule of Five, 8T-0033 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8T-0033?
The CAS number of 8T-0033 is 866136-99-4.
What is the molecular formula of 8T-0033?
The molecular formula of 8T-0033 is C22H12F8N4O2.
What is the molecular weight of 8T-0033?
The molecular weight of 8T-0033 is 516.08 g/mol.
Where can I buy 8T-0033?
You can request a quote for 8T-0033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8T-0033?
Yes, KEHONG BIO provides custom synthesis services for 8T-0033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.