CTK1C5634
TL;DR: CTK1C5634 (CAS 32425-63-1) is a chemical compound with molecular formula C23H16N4O12S2 and molecular weight 604.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[5-carboxy-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid
Also Known As: BAS 00061683, 4-(3-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, 4-[3-[3-carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl]allylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4-[3-[5-carboxy-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid
| Molecular Formula | C23H16N4O12S2 |
|---|---|
| Molecular Weight | 604.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 604.0206 |
| Heavy Atoms | 41 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 32425-63-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)S(=O)(=O)O |
| InChIKey | SFWSBBFIPHWMPI-UHFFFAOYSA-N |
Product Overview
CTK1C5634 (CAS 32425-63-1), with molecular formula C23H16N4O12S2 and molecular weight 604.02 g/mol. IUPAC: 4-[3-[5-carboxy-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfophenyl)pyrazole-3-carboxylic acid.
Chemical Property Profile of CTK1C5634
Property Insights of CTK1C5634
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1C5634. The TPSA of 265.0 Ų indicates high polarity, suggesting CTK1C5634 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK1C5634 has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK1C5634?
The CAS number of CTK1C5634 is 32425-63-1.
What is the molecular formula of CTK1C5634?
The molecular formula of CTK1C5634 is C23H16N4O12S2.
What is the molecular weight of CTK1C5634?
The molecular weight of CTK1C5634 is 604.02 g/mol.
Where can I buy CTK1C5634?
You can request a quote for CTK1C5634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1C5634?
Yes, KEHONG BIO provides custom synthesis services for CTK1C5634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.