CAS RN: 913297-44-6
7-bromo-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
- Product code: SSC-204285
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: 1g, 5g, 10g, 25g, 0.25g, 0.1g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 1 In Stock | Shanghai | Inquiry |
913297-44-6 / 4-bromo-3-methyl-1H-benzimidazol-2-one
Basic Information
CAS
913297-44-6
Multi CAS
No
Molecular Formula
BC8H7ORn2
Molecular Weight
227.060000
Exact Mass
225.974180
InChI
InChI=1S/C8H7BrN2O/c1-11-7-5(9)3-2-4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
RTGYXYYWJABYDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.24
TPSA
37.79
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.95
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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