CTK7C3126
TL;DR: CTK7C3126 (CAS 937604-72-3) is a chemical compound with molecular formula C20H17I2N3O4 and molecular weight 616.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-4-((2-HYDROXY-3,5-DIIODOPHENYL)METHYLENE)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE, 5-Tert-butyl-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one, 5-tert-butyl-4-[(2-hydroxy-3,5-diiodo-phenyl)methylene]-2-(4-nitrophenyl)pyrazol-3-one, 3-tert-butyl-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one, C20H17I2N3O4
| Molecular Formula | C20H17I2N3O4 |
|---|---|
| Molecular Weight | 616.93 g/mol |
| LogP | 5.3419 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 616.93085 |
| Heavy Atoms | 29 |
| Complexity | 1070.3693 |
Chemical Identifiers
| CAS Number | 937604-72-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=C(C(=CC(=C2)I)I)O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
CTK7C3126 (CAS 937604-72-3), with molecular formula C20H17I2N3O4 and molecular weight 616.93 g/mol. IUPAC: 5-tert-butyl-4-[(2-hydroxy-3,5-diiodophenyl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one.
Chemical Property Profile of CTK7C3126
Property Insights of CTK7C3126
The XLogP value of 5.3419 indicates that CTK7C3126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK7C3126. Following Lipinski's Rule of Five, CTK7C3126 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK7C3126?
The CAS number of CTK7C3126 is 937604-72-3.
What is the molecular formula of CTK7C3126?
The molecular formula of CTK7C3126 is C20H17I2N3O4.
What is the molecular weight of CTK7C3126?
The molecular weight of CTK7C3126 is 616.93 g/mol.
Where can I buy CTK7C3126?
You can request a quote for CTK7C3126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK7C3126?
Yes, KEHONG BIO provides custom synthesis services for CTK7C3126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.