CAS RN: 479-92-5
4-Isopropylantipyrine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 100g | Out of stock | Inquiry | |
| Batchno.20260203 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260607 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260302 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250703 | 50mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250322 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTI0656
- Purity/Analytical Methods: >98.0%(GC)
479-92-5 / 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
Basic Information
CAS
479-92-5
Multi CAS
No
Molecular Formula
C14H18N2O
Molecular Weight
230.310000
Exact Mass
230.141913
InChI
InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKey
PXWLVJLKJGVOKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.84
TPSA
26.93
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
1.7
Consensus LogP
2.2
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
