CAS RN: 684283-51-0
1,3-Diisopropylbenzimidazolium Bromide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-178172
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
684283-51-0 / 1,3-di(propan-2-yl)benzimidazol-3-ium bromide
Basic Information
CAS
684283-51-0
Multi CAS
No
Molecular Formula
BC13H19Rn2
Molecular Weight
283.210000
Exact Mass
282.073160
InChI
InChI=1S/C13H19N2.BrH/c1-10(2)14-9-15(11(3)4)13-8-6-5-7-12(13)14;/h5-11H,1-4H3;1H/q+1;/p-1
InChIKey
GEADTXMTKSHUOE-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.9
TPSA
8.81
LogP / Solubility
WLOGP
0.09
MLOGP
0.09
XLogP3
0.09
Consensus LogP
0.09
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-4.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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