Itf 1018
TL;DR: Itf 1018 (CAS 39204-50-7) is a chemical compound with molecular formula C20H22ClF3N4O and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-piperidin-1-ylethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine;hydrochloride
Also Known As: ITF 1018, 1H-Pyrazolo(3,4-b)pyridine, 3-(2-(1-piperidinyl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-, monohydrochloride, 3-[2-(piperidin-1-yl)ethoxy]-1-[3-(trifluoromethyl)phenyl]-1h-pyrazolo[3,4-b]pyridine hydrochloride(1:1), 3-(2-(Piperidin-1-yl)ethoxy)-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine hydrochloride, 1-[2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)ethyl]piperidine hydrochloride
| Molecular Formula | C20H22ClF3N4O |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 4.7258 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.14343 |
| Heavy Atoms | 29 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 39204-50-7 |
|---|---|
| SMILES | C1CCN(CC1)CCOC2=NN(C3=C2C=CC=N3)C4=CC=CC(=C4)C(F)(F)F.Cl |
| InChIKey | DWKPTKSRQULISV-UHFFFAOYSA-N |
Product Overview
Itf 1018 (CAS 39204-50-7), with molecular formula C20H22ClF3N4O and molecular weight 426.14 g/mol. IUPAC: 3-(2-piperidin-1-ylethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine;hydrochloride.
Chemical Property Profile of Itf 1018
Property Insights of Itf 1018
The XLogP value of 4.7258 indicates that Itf 1018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.2 Ų, Itf 1018 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Itf 1018 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 Itf 1018?
The CAS number of Itf 1018 is 39204-50-7.
What is the molecular formula of Itf 1018?
The molecular formula of Itf 1018 is C20H22ClF3N4O.
What is the molecular weight of Itf 1018?
The molecular weight of Itf 1018 is 426.14 g/mol.
Where can I buy Itf 1018?
You can request a quote for Itf 1018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itf 1018?
Yes, KEHONG BIO provides custom synthesis services for Itf 1018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.