CAS RN: 91337-45-0
1H-Benzimidazol-2-amine,1-butyl-(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.20250319 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91337-45-0
- Purity/Analytical Methods: >99.0%
91337-45-0 / 1-butylbenzimidazol-2-amine
Basic Information
CAS
91337-45-0
Multi CAS
Yes
Molecular Formula
C11H15N3
Molecular Weight
189.260000
Exact Mass
189.126597
InChI
InChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)
InChIKey
BPFMGSARUNSBFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.05
TPSA
43.84
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.16
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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