F0561-0196
TL;DR: F0561-0196 (CAS 958587-05-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
Also Known As: F0561-0196, N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide, N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide, N-[2-(2,3-dimethylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 958587-05-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C(C)C)C |
| InChIKey | TVXHNVZLSHVDRQ-UHFFFAOYSA-N |
Product Overview
F0561-0196 (CAS 958587-05-8), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide.
Chemical Property Profile of F0561-0196
Property Insights of F0561-0196
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0561-0196. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0561-0196. Following Lipinski's Rule of Five, F0561-0196 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 F0561-0196?
The CAS number of F0561-0196 is 958587-05-8.
What is the molecular formula of F0561-0196?
The molecular formula of F0561-0196 is C17H21N3O2S.
What is the molecular weight of F0561-0196?
The molecular weight of F0561-0196 is 331.14 g/mol.
Where can I buy F0561-0196?
You can request a quote for F0561-0196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0561-0196?
Yes, KEHONG BIO provides custom synthesis services for F0561-0196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.