CAS RN: 99840-45-6
1H-Benzimidazole,4-methyl-2-propyl-(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.20260323 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99840-45-6
- Purity/Analytical Methods: >99.0%
99840-45-6 / 4-methyl-2-propyl-1H-benzimidazole
Basic Information
CAS
99840-45-6
Multi CAS
No
Molecular Formula
C11H14N2
Molecular Weight
174.240000
Exact Mass
174.115698
InChI
InChI=1S/C11H14N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h4,6-7H,3,5H2,1-2H3,(H,12,13)
InChIKey
KKECAJNLCGRKJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.83
TPSA
28.68
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
3
Consensus LogP
2.77
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-1.78
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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