Itf 1008
TL;DR: Itf 1008 (CAS 34581-20-9) is a chemical compound with molecular formula C13H8F3N3O and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-one
Also Known As: ITF 1008, KST-1B3872, 1-(1-pyridin-2-ylethyl)piperazine, 2-[4-(2-methylpropyl)piperazin-1-yl]ethanol, 1-(3-(Trifluoromethyl)phenyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
| Molecular Formula | C13H8F3N3O |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.06195 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 34581-20-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C(=O)N2)C(F)(F)F |
| InChIKey | VJHQMBJCNXSDHH-UHFFFAOYSA-N |
Product Overview
Itf 1008 (CAS 34581-20-9), with molecular formula C13H8F3N3O and molecular weight 279.06 g/mol. IUPAC: 1-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-one.
Chemical Property Profile of Itf 1008
Property Insights of Itf 1008
The XLogP value of 3.0 indicates that Itf 1008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, Itf 1008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Itf 1008 has 1 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 Itf 1008?
The CAS number of Itf 1008 is 34581-20-9.
What is the molecular formula of Itf 1008?
The molecular formula of Itf 1008 is C13H8F3N3O.
What is the molecular weight of Itf 1008?
The molecular weight of Itf 1008 is 279.06 g/mol.
Where can I buy Itf 1008?
You can request a quote for Itf 1008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itf 1008?
Yes, KEHONG BIO provides custom synthesis services for Itf 1008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.