CAS RN: 177843-30-0
1H-Benzimidazol-5-amine, 4-methyl- (9CI)
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.20250205 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS177843-30-0
- Purity/Analytical Methods: >99.0%
177843-30-0 / 4-methyl-1H-benzimidazol-5-amine
Basic Information
CAS
177843-30-0
Multi CAS
No
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
SMILES
CC1=C(C=CC2=C1N=CN2)N
InChI
InChI=1S/C8H9N3/c1-5-6(9)2-3-7-8(5)11-4-10-7/h2-4H,9H2,1H3,(H,10,11)
InChIKey
RPWLPIKIULUGGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.24
TPSA
54.7
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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