CTK4H1556
TL;DR: CTK4H1556 (CAS 33981-19-0) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
Also Known As: 4-[4-[[4-(DIMETHYLAMINO)PHENYL]METHYLENE]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID, Benzenesulfonic acid,4-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 33981-19-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | VRZMESZQDKLNTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK4H1556 (CAS 33981-19-0), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: 4-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of CTK4H1556
Property Insights of CTK4H1556
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4H1556. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4H1556. Following Lipinski's Rule of Five, CTK4H1556 has 1 hydrogen bond donor(s) and 6 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 CTK4H1556?
The CAS number of CTK4H1556 is 33981-19-0.
What is the molecular formula of CTK4H1556?
The molecular formula of CTK4H1556 is C19H19N3O4S.
What is the molecular weight of CTK4H1556?
The molecular weight of CTK4H1556 is 385.11 g/mol.
Where can I buy CTK4H1556?
You can request a quote for CTK4H1556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4H1556?
Yes, KEHONG BIO provides custom synthesis services for CTK4H1556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.