![5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid structure](/static/products/6909/69099-31-6.webp)
5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid
TL;DR: 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid (CAS 69099-31-6) is a chemical compound with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxylic acid
Also Known As: 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid, 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxyl, 1-phenyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxylic acid 5,5-dioxide, 5,5-Dioxo-1-phenyl-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxylic acid
| Molecular Formula | C17H12N2O4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.0518 |
| Heavy Atoms | 24 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 69099-31-6 |
|---|---|
| SMILES | C1C2=C(C3=CC=CC=C3S1(=O)=O)N(N=C2C(=O)O)C4=CC=CC=C4 |
| InChIKey | AELZORIZIQFUHT-UHFFFAOYSA-N |
Product Overview
5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid (CAS 69099-31-6), with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol. IUPAC: 5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxylic acid.
Chemical Property Profile of 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid
Property Insights of 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid 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 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid?
The CAS number of 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid is 69099-31-6.
What is the molecular formula of 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid?
The molecular formula of 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid is C17H12N2O4S.
What is the molecular weight of 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid?
The molecular weight of 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid is 340.05 g/mol.
Where can I buy 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid?
You can request a quote for 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.