CAS RN: 53439-88-6
5-AMINO-1,3-DIMETHYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-160770
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: >97%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 2 In Stock | Beijing | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | >97% | 2 In Stock | Shanghai | Inquiry |
53439-88-6 / 5-amino-1,3-dimethylbenzimidazol-2-one
Basic Information
CAS
53439-88-6
Multi CAS
Yes
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
InChI
InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3
InChIKey
JHKRQZQRGCCWOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.57
TPSA
52.95
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.8
Consensus LogP
0.55
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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