CAS RN: 1332528-75-2
2-Chloro-5-methyl-1H-benzimidazole hydrochloride
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.20260624 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1332528-75-2
- Purity/Analytical Methods: >99.0%
1332528-75-2 / 2-chloro-6-methyl-1H-benzimidazole;hydrochloride
Basic Information
CAS
1332528-75-2
Multi CAS
No
Molecular Formula
C8H8Cl2N2
Molecular Weight
203.070000
Exact Mass
202.006454
SMILES
CC1=CC2=C(C=C1)N=C(N2)Cl.Cl
InChI
InChI=1S/C8H7ClN2.ClH/c1-5-2-3-6-7(4-5)11-8(9)10-6;/h2-4H,1H3,(H,10,11);1H
InChIKey
NGRHTOLPMPRCPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.09
TPSA
28.68
LogP / Solubility
WLOGP
2.95
MLOGP
2.59
XLogP3
2.95
Consensus LogP
2.83
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-1.87
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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