CAS RN: 87769-64-0
2-benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one
- Product code: SSC-198048
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
87769-64-0 / 2-benzyl-6-phenyl-4,5-dihydropyridazin-3-one
Basic Information
CAS
87769-64-0
Multi CAS
No
Molecular Formula
C17H16N2O
Molecular Weight
264.320000
Exact Mass
264.126263
InChI
InChI=1S/C17H16N2O/c20-17-12-11-16(15-9-5-2-6-10-15)18-19(17)13-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKey
KMPXAOYMXIGGPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
79.21
TPSA
32.67
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
2.6
Consensus LogP
2.88
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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