Ethyl pyrazolone T
TL;DR: Ethyl pyrazolone T (CAS 6402-06-8) is a chemical compound with molecular formula C12H12N2O6S and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: Ethyl pyrazolone T, Carbethoxy pyrazole acid, 4-(3- benzenesulfonicacid, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester, 4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
| Molecular Formula | C12H12N2O6S |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0416 |
| Heavy Atoms | 21 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 6402-06-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | ODFCMJFINVPRFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl pyrazolone T (CAS 6402-06-8), with molecular formula C12H12N2O6S and molecular weight 312.04 g/mol. IUPAC: 4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of Ethyl pyrazolone T
Property Insights of Ethyl pyrazolone T
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl pyrazolone T. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl pyrazolone T. Following Lipinski's Rule of Five, Ethyl pyrazolone T has 1 hydrogen bond donor(s) and 7 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 Ethyl pyrazolone T?
The CAS number of Ethyl pyrazolone T is 6402-06-8.
What is the molecular formula of Ethyl pyrazolone T?
The molecular formula of Ethyl pyrazolone T is C12H12N2O6S.
What is the molecular weight of Ethyl pyrazolone T?
The molecular weight of Ethyl pyrazolone T is 312.04 g/mol.
Where can I buy Ethyl pyrazolone T?
You can request a quote for Ethyl pyrazolone T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pyrazolone T?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pyrazolone T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.