IFLab1_003259
TL;DR: IFLab1_003259 (CAS 852372-22-6) is a chemical compound with molecular formula C17H17N5OS and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: IFLab1_003259, F0676-0004, 2-({3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one, 2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
| Molecular Formula | C17H17N5OS |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.5058 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.1154 |
| Heavy Atoms | 24 |
| Complexity | 857.8032 |
Chemical Identifiers
| CAS Number | 852372-22-6 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN3C(=NN=C3C4=CC=CC=C4)C=C2 |
Product Overview
IFLab1_003259 (CAS 852372-22-6), with molecular formula C17H17N5OS and molecular weight 339.12 g/mol. IUPAC: 2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of IFLab1_003259
Property Insights of IFLab1_003259
The XLogP value of 2.5058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003259. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003259. Following Lipinski's Rule of Five, IFLab1_003259 has 0 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_003259?
The CAS number of IFLab1_003259 is 852372-22-6.
What is the molecular formula of IFLab1_003259?
The molecular formula of IFLab1_003259 is C17H17N5OS.
What is the molecular weight of IFLab1_003259?
The molecular weight of IFLab1_003259 is 339.12 g/mol.
Where can I buy IFLab1_003259?
You can request a quote for IFLab1_003259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003259?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.