CAS RN: 40341-04-6
RABENZAZOLE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251111 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS40341-04-6
- Purity/Analytical Methods: >99.0%
40341-04-6 / 2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole
Basic Information
CAS
40341-04-6
Multi CAS
No
Molecular Formula
C12H12N4
Molecular Weight
212.250000
Exact Mass
212.106196
InChI
InChI=1S/C12H12N4/c1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12/h3-7H,1-2H3,(H,13,14)
InChIKey
RUGYNGIMTAFTLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.69
TPSA
46.5
LogP / Solubility
WLOGP
2.37
MLOGP
2.08
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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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