CAS RN: 115575-11-6
Liarozole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250314 | 1mg / 5mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS115575-11-6
- Purity/Analytical Methods: >99.0%
115575-11-6 / 6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole
Liarozole | Liarozol | Liarozolum
Basic Information
CAS
115575-11-6
Multi CAS
Yes
Molecular Formula
C17H13ClN4
Molecular Weight
308.800000
Exact Mass
308.082874
SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC3=C(C=C2)N=CN3)N4C=CN=C4
InChI
InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
InChIKey
UGFHIPBXIWJXNA-UHFFFAOYSA-N
Synonyms
Liarozole
Liarozol
Liarozolum
K0Q29TGV9Y
R-75251
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
20
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.01
TPSA
46.5
LogP / Solubility
WLOGP
4.05
MLOGP
3.58
XLogP3
3.5
Consensus LogP
3.71
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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