RefChem:512949
TL;DR: RefChem:512949 (CAS 60404-77-5) is a chemical compound with molecular formula C19H20N4O10S2 and molecular weight 528.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[5-carboxy-2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrazole-3-carboxylic acid
Also Known As: Silane,2-butene-1,4-diylbis[dimethylphenyl, 4-(3-(3-Carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylic acid S,S,S',S'-tetraoxide, 4-[3-(3-carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allylidene]-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylic acid S,S,S',S'-tetraoxide, 262-220-5, 4-(3-(3-Carboxy-5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazol-4-yl)allyliden)-4,5-dihydro-5-oxo-1-(tetrahydro-3-thienyl)
| Molecular Formula | C19H20N4O10S2 |
|---|---|
| Molecular Weight | 528.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.0621 |
| Heavy Atoms | 35 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 60404-77-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4CCS(=O)(=O)C4)C(=O)O |
| InChIKey | JUWGXBPEPFJOSG-UHFFFAOYSA-N |
Product Overview
RefChem:512949 (CAS 60404-77-5), with molecular formula C19H20N4O10S2 and molecular weight 528.06 g/mol. IUPAC: 4-[3-[5-carboxy-2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrazole-3-carboxylic acid.
Chemical Property Profile of RefChem:512949
Property Insights of RefChem:512949
The XLogP value of -1.0 indicates that RefChem:512949 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting RefChem:512949 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:512949 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:512949?
The CAS number of RefChem:512949 is 60404-77-5.
What is the molecular formula of RefChem:512949?
The molecular formula of RefChem:512949 is C19H20N4O10S2.
What is the molecular weight of RefChem:512949?
The molecular weight of RefChem:512949 is 528.06 g/mol.
Where can I buy RefChem:512949?
You can request a quote for RefChem:512949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:512949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:512949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.