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: 5g, 1g, 10g, 0.25g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 1 In Stock | Hong Kong | Inquiry |
50591-22-5 / 1-methylbenzimidazol-5-ol
Basic Information
CAS
50591-22-5
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
InChI
InChI=1S/C8H8N2O/c1-10-5-9-7-4-6(11)2-3-8(7)10/h2-5,11H,1H3
InChIKey
NDDDURSMVVKBTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.38
TPSA
38.05
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.72
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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