CAS RN: 4551-69-3
4-Benzoyl-3-methyl-1-phenyl-5-pyrazolone
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260109 | 100g | In stock | Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20251211 | 1g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20250115 | 25g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20250515 | 500g | In stock | Shandong | Inquiry |
| Batchno.20250307 | 5g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: SSC-153256
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
4551-69-3 / 4-benzoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Basic Information
CAS
4551-69-3
Multi CAS
Yes
Molecular Formula
C17H14N2O2
Molecular Weight
278.300000
Exact Mass
278.105528
InChI
InChI=1S/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,15H,1H3
InChIKey
JDOLPAMOKSAEMD-UHFFFAOYSA-N
Physical Properties
Physical Description
Yellow crystalline powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
81.3
TPSA
49.74
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
