IFLab1_002354
TL;DR: IFLab1_002354 (CAS 957624-92-9) is a chemical compound with molecular formula C22H22ClN3O2S and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: IFLab1_002354, F0561-0517, 4-tert-butyl-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 4-(tert-butyl)-N-(2-(3-chlorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide
| Molecular Formula | C22H22ClN3O2S |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 4.8378 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.11212 |
| Heavy Atoms | 29 |
| Complexity | 1114.0763 |
Chemical Identifiers
| CAS Number | 957624-92-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC(=CC=C4)Cl |
Product Overview
IFLab1_002354 (CAS 957624-92-9), with molecular formula C22H22ClN3O2S and molecular weight 427.11 g/mol. IUPAC: 4-tert-butyl-N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of IFLab1_002354
Property Insights of IFLab1_002354
The XLogP value of 4.8378 indicates that IFLab1_002354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002354. Following Lipinski's Rule of Five, IFLab1_002354 has 1 hydrogen bond donor(s) and 3 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_002354?
The CAS number of IFLab1_002354 is 957624-92-9.
What is the molecular formula of IFLab1_002354?
The molecular formula of IFLab1_002354 is C22H22ClN3O2S.
What is the molecular weight of IFLab1_002354?
The molecular weight of IFLab1_002354 is 427.11 g/mol.
Where can I buy IFLab1_002354?
You can request a quote for IFLab1_002354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002354?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.