CTK5E3095
TL;DR: CTK5E3095 (CAS 76552-35-7) is a chemical compound with molecular formula C15H10F6N4O6 and molecular weight 456.05 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-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
Also Known As: EINECS 278-491-8, (4Z)-4-[(E)-3-[3-carboxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid,4-[3-[3-carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-, 4-(3-(3-Carboxy-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid, 4-[3-[3-Carboxy-1,5-dihydro-5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]-5-hydroxy-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C15H10F6N4O6 |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 1.2216 |
| Topological Polar Surface Area | 145.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.05045 |
| Heavy Atoms | 31 |
| Complexity | 1075.2145 |
Chemical Identifiers
| CAS Number | 76552-35-7 |
|---|---|
| SMILES | C(C(F)(F)F)N1C(=O)C(=C(N1)C(=O)O)C=CC=C2C(=NN(C2=O)CC(F)(F)F)C(=O)O |
Product Overview
CTK5E3095 (CAS 76552-35-7), with molecular formula C15H10F6N4O6 and molecular weight 456.05 g/mol. IUPAC: 4-[3-[5-carboxy-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid.
Chemical Property Profile of CTK5E3095
Property Insights of CTK5E3095
The XLogP value of 1.2216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5E3095. The TPSA of 145.06 Ų indicates high polarity, suggesting CTK5E3095 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5E3095 has 3 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 CTK5E3095?
The CAS number of CTK5E3095 is 76552-35-7.
What is the molecular formula of CTK5E3095?
The molecular formula of CTK5E3095 is C15H10F6N4O6.
What is the molecular weight of CTK5E3095?
The molecular weight of CTK5E3095 is 456.05 g/mol.
Where can I buy CTK5E3095?
You can request a quote for CTK5E3095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E3095?
Yes, KEHONG BIO provides custom synthesis services for CTK5E3095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.