ITF 1022
TL;DR: ITF 1022 (CAS 1173-88-2) is a chemical compound with molecular formula C17H18ClF3N4O and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxyethanamine;hydrochloride
Also Known As: ITF 1022, Ethylamine, N,N-dimethyl-2-((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, monohydrochloride, n,n-dimethyl-2-({1-[3-(trifluoromethyl)phenyl]-1h-pyrazolo[3,4-b]pyridin-3-yl}oxy)ethanamine hydrochloride(1:1), N,N-Dimethyl-2-({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)ethan-1-amine--hydrogen chloride (1/1), N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxyethanamine hydrochloride
| Molecular Formula | C17H18ClF3N4O |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 3.8015 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.11212 |
| Heavy Atoms | 26 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 1173-88-2 |
|---|---|
| SMILES | CN(C)CCOC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F.Cl |
| InChIKey | IDXFIYKMQCYMHI-UHFFFAOYSA-N |
Product Overview
ITF 1022 (CAS 1173-88-2), with molecular formula C17H18ClF3N4O and molecular weight 386.11 g/mol. IUPAC: N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxyethanamine;hydrochloride.
Chemical Property Profile of ITF 1022
Property Insights of ITF 1022
The XLogP value of 3.8015 indicates that ITF 1022 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 1022 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ITF 1022 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 1022?
The CAS number of ITF 1022 is 1173-88-2.
What is the molecular formula of ITF 1022?
The molecular formula of ITF 1022 is C17H18ClF3N4O.
What is the molecular weight of ITF 1022?
The molecular weight of ITF 1022 is 386.11 g/mol.
Where can I buy ITF 1022?
You can request a quote for ITF 1022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITF 1022?
Yes, KEHONG BIO provides custom synthesis services for ITF 1022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.