ITF 1028
TL;DR: ITF 1028 (CAS 39204-06-3) is a chemical compound with molecular formula C16H12F3N3O2 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxypropan-2-one
Also Known As: ITF 1028, KST-1B3871, 1-({1-[3-(trifluoromethyl)phenyl]-1h-pyrazolo[3,4-b]pyridin-3-yl}oxy)propan-2-one, 1-((1-(3-(Trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)oxy)propan-2-one, 1-((1-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-2-propanone
| Molecular Formula | C16H12F3N3O2 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.08817 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 39204-06-3 |
|---|---|
| SMILES | CC(=O)COC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | ASTCNIALLSQLQN-UHFFFAOYSA-N |
Product Overview
ITF 1028 (CAS 39204-06-3), with molecular formula C16H12F3N3O2 and molecular weight 335.09 g/mol. IUPAC: 1-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxypropan-2-one.
Chemical Property Profile of ITF 1028
Property Insights of ITF 1028
The XLogP value of 3.4 indicates that ITF 1028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, ITF 1028 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ITF 1028 has 0 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 1028?
The CAS number of ITF 1028 is 39204-06-3.
What is the molecular formula of ITF 1028?
The molecular formula of ITF 1028 is C16H12F3N3O2.
What is the molecular weight of ITF 1028?
The molecular weight of ITF 1028 is 335.09 g/mol.
Where can I buy ITF 1028?
You can request a quote for ITF 1028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITF 1028?
Yes, KEHONG BIO provides custom synthesis services for ITF 1028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.