IFLab1_003239
TL;DR: IFLab1_003239 (CAS 307324-58-9) is a chemical compound with molecular formula C21H16F3N5OS and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: IFLab1_003239, 2-({6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, F0745-1018, 2-((6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H16F3N5OS |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 4.87352 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.10275 |
| Heavy Atoms | 31 |
| Complexity | 1240.983 |
Chemical Identifiers
| CAS Number | 307324-58-9 |
|---|---|
| SMILES | CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
IFLab1_003239 (CAS 307324-58-9), with molecular formula C21H16F3N5OS and molecular weight 443.10 g/mol. IUPAC: 2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of IFLab1_003239
Property Insights of IFLab1_003239
The XLogP value of 4.87352 indicates that IFLab1_003239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003239. Following Lipinski's Rule of Five, IFLab1_003239 has 1 hydrogen bond donor(s) and 5 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 IFLab1_003239?
The CAS number of IFLab1_003239 is 307324-58-9.
What is the molecular formula of IFLab1_003239?
The molecular formula of IFLab1_003239 is C21H16F3N5OS.
What is the molecular weight of IFLab1_003239?
The molecular weight of IFLab1_003239 is 443.10 g/mol.
Where can I buy IFLab1_003239?
You can request a quote for IFLab1_003239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003239?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.