CAS RN: 73215-11-9
1H-Benzimidazole, 1-(1-ethylpropyl)-5,6-dimethyl-7-nitro-
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.20250316 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS73215-11-9
- Purity/Analytical Methods: >99.0%
73215-11-9 / 5,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole
Basic Information
CAS
73215-11-9
Multi CAS
No
Molecular Formula
C14H19N3O2
Molecular Weight
261.320000
Exact Mass
261.147727
InChI
InChI=1S/C14H19N3O2/c1-5-11(6-2)16-8-15-12-7-9(3)10(4)13(14(12)16)17(18)19/h7-8,11H,5-6H2,1-4H3
InChIKey
PXECYAIQPVLQQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
75.48
TPSA
60.96
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
3.8
Consensus LogP
3.73
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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