![CAS 36339-13-6 1,3-Dibenzyl-1H-benzo[d]imidazol-3-ium chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36339-13-6.gif)
CAS RN: 36339-13-6
1,3-Dibenzyl-1H-benzo[d]imidazol-3-ium chloride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-143536
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
36339-13-6 / 1,3-dibenzylbenzimidazol-3-ium chloride
Basic Information
CAS
36339-13-6
Multi CAS
No
Molecular Formula
C21H19CLN2
Molecular Weight
334.800000
Exact Mass
334.123676
InChI
InChI=1S/C21H19N2.ClH/c1-3-9-18(10-4-1)15-22-17-23(16-19-11-5-2-6-12-19)21-14-8-7-13-20(21)22;/h1-14,17H,15-16H2;1H/q+1;/p-1
InChIKey
CSFOFEZIBMHEPB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
93.22
TPSA
8.81
LogP / Solubility
WLOGP
1.03
MLOGP
0.92
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 36357-32-1 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methyl-, (3S,8aS)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36357-32-1.gif)
