CAS RN: 934397-98-5
5-Amino-4-methyl-1-phenyl-1,2-dihydro-pyrazol-3-one
- Product code: SSC-207658
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: ≥98%
- 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 | ≥98% | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 2 In Stock | Shanghai | Inquiry |
934397-98-5 / 3-amino-4-methyl-2-phenyl-1H-pyrazol-5-one
Basic Information
CAS
934397-98-5
Multi CAS
No
Molecular Formula
C10H11N3O
Molecular Weight
189.210000
Exact Mass
189.090212
InChI
InChI=1S/C10H11N3O/c1-7-9(11)13(12-10(7)14)8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,14)
InChIKey
IUURCNSBVAESQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.54
TPSA
63.81
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
1.3
Consensus LogP
1.1
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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