IFLab1_002425
TL;DR: IFLab1_002425 (CAS 449786-78-1) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
Also Known As: IFLab1_002425, N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide, F0541-0299, 2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide, 2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]propanamide
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.20362 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 864.7206 |
Chemical Identifiers
| CAS Number | 449786-78-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C(C)C |
Product Overview
IFLab1_002425 (CAS 449786-78-1), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: 2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide.
Chemical Property Profile of IFLab1_002425
Property Insights of IFLab1_002425
The XLogP value of 2.20362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002425. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002425. Following Lipinski's Rule of Five, IFLab1_002425 has 1 hydrogen bond donor(s) and 4 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_002425?
The CAS number of IFLab1_002425 is 449786-78-1.
What is the molecular formula of IFLab1_002425?
The molecular formula of IFLab1_002425 is C16H19N3O3S.
What is the molecular weight of IFLab1_002425?
The molecular weight of IFLab1_002425 is 333.11 g/mol.
Where can I buy IFLab1_002425?
You can request a quote for IFLab1_002425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002425?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.