CAS RN: 638140-77-9
1H-Benzimidazole,5,6-dimethyl-1-propyl-(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.20250522 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS638140-77-9
- Purity/Analytical Methods: >99.0%
638140-77-9 / 5,6-dimethyl-1-propylbenzimidazole
Basic Information
CAS
638140-77-9
Multi CAS
No
Molecular Formula
C12H16N2
Molecular Weight
188.270000
Exact Mass
188.131349
InChI
InChI=1S/C12H16N2/c1-4-5-14-8-13-11-6-9(2)10(3)7-12(11)14/h6-8H,4-5H2,1-3H3
InChIKey
MKUXDSJGWAZBFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.5
TPSA
17.82
LogP / Solubility
WLOGP
3.06
MLOGP
2.69
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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