CTK5C0788
TL;DR: CTK5C0788 (CAS 64137-48-0) is a chemical compound with molecular formula C23H18N4O6 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid
Also Known As: 4-[4-[[1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]benzoic acid, 4-[4-[[1-(4-CARBOXYPHENYL)-1,5-DIHYDRO-3-METHYL-5-OXO-4H-PYRAZOLE-4-YLIDENE]METHYL]-5-HYDROXY-3-METHYL-1H-PYRAZOLE-1-YL]BENZOIC ACID, Benzoic acid,4-[4-[[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]methyl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-
| Molecular Formula | C23H18N4O6 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 2.67652 |
| Topological Polar Surface Area | 145.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.12262 |
| Heavy Atoms | 33 |
| Complexity | 1408.6235 |
Chemical Identifiers
| CAS Number | 64137-48-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C |
Product Overview
CTK5C0788 (CAS 64137-48-0), with molecular formula C23H18N4O6 and molecular weight 446.12 g/mol. IUPAC: 4-[4-[[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid.
Chemical Property Profile of CTK5C0788
Property Insights of CTK5C0788
The XLogP value of 2.67652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5C0788. The TPSA of 145.06 Ų indicates high polarity, suggesting CTK5C0788 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5C0788 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 CTK5C0788?
The CAS number of CTK5C0788 is 64137-48-0.
What is the molecular formula of CTK5C0788?
The molecular formula of CTK5C0788 is C23H18N4O6.
What is the molecular weight of CTK5C0788?
The molecular weight of CTK5C0788 is 446.12 g/mol.
Where can I buy CTK5C0788?
You can request a quote for CTK5C0788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5C0788?
Yes, KEHONG BIO provides custom synthesis services for CTK5C0788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.