CTK4B1476
TL;DR: CTK4B1476 (CAS 119-74-4) is a chemical compound with molecular formula C18H17N3O7S2 and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 5-amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]-, 2-[2-(4-Amino-2-sulfophenyl)ethen-1-yl]-5-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 5-AMINO-2-[2-[4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-2-SULPHOPHENYL]VINYL]BENZENESULPHONIC ACID, Benzenesulfonic acid, 5-amino-2-(2-(4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl)ethenyl)-, Benzenesulfonic acid,5-amino-2-[2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]-
| Molecular Formula | C18H17N3O7S2 |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.05078 |
| Heavy Atoms | 30 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 119-74-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | OQZZKKAUSICVQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK4B1476 (CAS 119-74-4), with molecular formula C18H17N3O7S2 and molecular weight 451.05 g/mol. IUPAC: 5-amino-2-[2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of CTK4B1476
Property Insights of CTK4B1476
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4B1476. The TPSA of 184.0 Ų indicates high polarity, suggesting CTK4B1476 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4B1476 has 3 hydrogen bond donor(s) and 9 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 CTK4B1476?
The CAS number of CTK4B1476 is 119-74-4.
What is the molecular formula of CTK4B1476?
The molecular formula of CTK4B1476 is C18H17N3O7S2.
What is the molecular weight of CTK4B1476?
The molecular weight of CTK4B1476 is 451.05 g/mol.
Where can I buy CTK4B1476?
You can request a quote for CTK4B1476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4B1476?
Yes, KEHONG BIO provides custom synthesis services for CTK4B1476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.