F0561-0090
TL;DR: F0561-0090 (CAS 1007550-66-4) is a chemical compound with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: F0561-0090, N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide, N-[2-(2-methylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide, N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C20H17N3O4S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 2.92402 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.09396 |
| Heavy Atoms | 28 |
| Complexity | 1138.4746 |
Chemical Identifiers
| CAS Number | 1007550-66-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
F0561-0090 (CAS 1007550-66-4), with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol. IUPAC: N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of F0561-0090
Property Insights of F0561-0090
The XLogP value of 2.92402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0561-0090. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for F0561-0090. Following Lipinski's Rule of Five, F0561-0090 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 F0561-0090?
The CAS number of F0561-0090 is 1007550-66-4.
What is the molecular formula of F0561-0090?
The molecular formula of F0561-0090 is C20H17N3O4S.
What is the molecular weight of F0561-0090?
The molecular weight of F0561-0090 is 395.09 g/mol.
Where can I buy F0561-0090?
You can request a quote for F0561-0090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0561-0090?
Yes, KEHONG BIO provides custom synthesis services for F0561-0090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.