CAS RN: 4006-62-6
1H-Benzimidazol-6-amine,1,2-dimethyl-(9CI)
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.20260514 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4006-62-6
- Purity/Analytical Methods: >99.0%
4006-62-6 / 2,3-dimethylbenzimidazol-5-amine
Basic Information
CAS
4006-62-6
Multi CAS
No
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
InChI
InChI=1S/C9H11N3/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h3-5H,10H2,1-2H3
InChIKey
OAUGOBOEYPHXCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.86
TPSA
43.84
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.66
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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