![2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid structure](/static/products/852/852851-69-5.png)
2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid
TL;DR: 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid (CAS 852851-69-5) is a chemical compound with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid
Also Known As: 2-[1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetic acid, 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid, [1-(1,1-dioxidotetrahydrothien-3-yl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetic acid, 2-(1-(1,1-Dioxidotetrahydrothiophen-3-yl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetic acid, 2-(2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl)acetic acid
| Molecular Formula | C9H12N2O5S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | -0.8369 |
| Topological Polar Surface Area | 109.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0467 |
| Heavy Atoms | 17 |
| Complexity | 597.1476 |
Chemical Identifiers
| CAS Number | 852851-69-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)C=C(N2)CC(=O)O |
Product Overview
2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid (CAS 852851-69-5), with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol. IUPAC: 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid.
Chemical Property Profile of 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid
Property Insights of 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid
The XLogP value of -0.8369 indicates that 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid. Following Lipinski's Rule of Five, 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid has 2 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 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid?
The CAS number of 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid is 852851-69-5.
What is the molecular formula of 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid?
The molecular formula of 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid is C9H12N2O5S.
What is the molecular weight of 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid?
The molecular weight of 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid is 260.05 g/mol.
Where can I buy 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid?
You can request a quote for 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.