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, 25g, 1g, 100g, 10g
- Available purity: ≥98%
- Inventory rows with stock: 4
- 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 | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
614-97-1 / 6-methyl-1H-benzimidazole
Basic Information
CAS
614-97-1
Multi CAS
No
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
InChI
InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKey
RWXZXCZBMQPOBF-UHFFFAOYSA-N
Physical Properties
Melting Point
114-117 °C
Boiling Point
169-172 °C at 1.00E+00 mm Hg
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.83
TPSA
28.68
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-(1,2,3,6-Tetrahydro-4-pyridyl)-2-benzimidazolinone
- CAS RN: 2147-83-3
- Product Code: SSC-102927
-
-
-
-
