F0561-0091
TL;DR: F0561-0091 (CAS 958587-17-2) is a chemical compound with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methylphenyl)acetamide
Also Known As: F0561-0091, N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methylphenyl)acetamide, N-{2-tert-butyl-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl}-2-(3-methylphenyl)acetamide, N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(m-tolyl)acetamide
| Molecular Formula | C18H23N3O2S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1511 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 958587-17-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC(=O)NC2=C3CS(=O)CC3=NN2C(C)(C)C |
| InChIKey | VFYYEKLHEDYJTM-UHFFFAOYSA-N |
Product Overview
F0561-0091 (CAS 958587-17-2), with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol. IUPAC: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-methylphenyl)acetamide.
Chemical Property Profile of F0561-0091
Property Insights of F0561-0091
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0561-0091. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0561-0091. Following Lipinski's Rule of Five, F0561-0091 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 F0561-0091?
The CAS number of F0561-0091 is 958587-17-2.
What is the molecular formula of F0561-0091?
The molecular formula of F0561-0091 is C18H23N3O2S.
What is the molecular weight of F0561-0091?
The molecular weight of F0561-0091 is 345.15 g/mol.
Where can I buy F0561-0091?
You can request a quote for F0561-0091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0561-0091?
Yes, KEHONG BIO provides custom synthesis services for F0561-0091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.