CTK4G1262
TL;DR: CTK4G1262 (CAS 28336-80-3) is a chemical compound with molecular formula C21H19N3O3 and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid
Also Known As: 1H-Pyrazole-3-carboxylicacid,4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-1-phenyl-, 4-[3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 4-(3-(4-(dimethylamino)phenyl)-2-propenylidene)-4,5-dihydro-5-oxo-1-phenyl-, 4-(3-(4-(Dimethylamino)phenyl)allylidene)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid, 4-[3-[4-(Dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C21H19N3O3 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.14264 |
| Heavy Atoms | 27 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 28336-80-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=CC=C2C(=NN(C2=O)C3=CC=CC=C3)C(=O)O |
| InChIKey | NCMCJHVZDVDKIE-UHFFFAOYSA-N |
Product Overview
CTK4G1262 (CAS 28336-80-3), with molecular formula C21H19N3O3 and molecular weight 361.14 g/mol. IUPAC: 4-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid.
Chemical Property Profile of CTK4G1262
Property Insights of CTK4G1262
The XLogP value of 3.8 indicates that CTK4G1262 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4G1262. Following Lipinski's Rule of Five, CTK4G1262 has 1 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 CTK4G1262?
The CAS number of CTK4G1262 is 28336-80-3.
What is the molecular formula of CTK4G1262?
The molecular formula of CTK4G1262 is C21H19N3O3.
What is the molecular weight of CTK4G1262?
The molecular weight of CTK4G1262 is 361.14 g/mol.
Where can I buy CTK4G1262?
You can request a quote for CTK4G1262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4G1262?
Yes, KEHONG BIO provides custom synthesis services for CTK4G1262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.