IFLab1_003442
TL;DR: IFLab1_003442 (CAS 394226-28-9) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide
Also Known As: IFLab1_003442, F0735-0001, N-(2-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-oxoethyl)benzenesulfonamide, N-(2-{3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}-2-oxoethyl)benzenesulfonamide, N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 3.57826 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 1089.7295 |
Chemical Identifiers
| CAS Number | 394226-28-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)CNS(=O)(=O)C3=CC=CC=C3)C |
Product Overview
IFLab1_003442 (CAS 394226-28-9), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: N-[2-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide.
Chemical Property Profile of IFLab1_003442
Property Insights of IFLab1_003442
The XLogP value of 3.57826 indicates that IFLab1_003442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003442. Following Lipinski's Rule of Five, IFLab1_003442 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_003442?
The CAS number of IFLab1_003442 is 394226-28-9.
What is the molecular formula of IFLab1_003442?
The molecular formula of IFLab1_003442 is C20H21N3O3S2.
What is the molecular weight of IFLab1_003442?
The molecular weight of IFLab1_003442 is 415.10 g/mol.
Where can I buy IFLab1_003442?
You can request a quote for IFLab1_003442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003442?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.