CAS RN: 75524-10-6
5-chloro-1,2-dimethyl-3-phenylbenzimidazol-1-ium:chloride
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.20251129 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS75524-10-6
- Purity/Analytical Methods: >99.0%
75524-10-6 / 5-chloro-1,2-dimethyl-3-phenylbenzimidazol-1-ium chloride
Basic Information
CAS
75524-10-6
Multi CAS
Yes
Molecular Formula
C15H14CL2N2
Molecular Weight
293.200000
Exact Mass
292.053404
InChI
InChI=1S/C15H14ClN2.ClH/c1-11-17(2)14-9-8-12(16)10-15(14)18(11)13-6-4-3-5-7-13;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKey
VKKYWEDLYZLADD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.2
TPSA
8.81
LogP / Solubility
WLOGP
0.42
MLOGP
0.38
XLogP3
0.42
Consensus LogP
0.41
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-4.21
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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