CAS RN: 1547913-76-7
2-(Cyanomethyl)-7-(methylsulfonyl)benzimidazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-064131
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
- Available purity: ≥95%
- Inventory rows with stock: 3
- 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.
1547913-76-7 / 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)acetonitrile
Basic Information
CAS
1547913-76-7
Multi CAS
No
Molecular Formula
C10H9N3O2S
Molecular Weight
235.260000
Exact Mass
235.041548
SMILES
CS(=O)(=O)C1=CC=CC2=C1N=C(N2)CC#N
InChI
InChI=1S/C10H9N3O2S/c1-16(14,15)8-4-2-3-7-10(8)13-9(12-7)5-6-11/h2-4H,5H2,1H3,(H,12,13)
InChIKey
IDNUJIMGHKQKHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.52
TPSA
86.61
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
0.4
Consensus LogP
0.78
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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