![CAS 1571060-90-6 3-(2-(6-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1571060-90-6.gif)
CAS RN: 1571060-90-6
3-(2-(6-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutanone
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.20250326 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1571060-90-6
- Purity/Analytical Methods: >99.0%
1571060-90-6 / 3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutan-1-one
Basic Information
CAS
1571060-90-6
Multi CAS
No
Molecular Formula
C17H22N2O
Molecular Weight
270.370000
Exact Mass
270.173213
SMILES
CC(C)(C)C1=CC2=C(C=C1)N=C(N2)CCC3CC(=O)C3
InChI
InChI=1S/C17H22N2O/c1-17(2,3)12-5-6-14-15(10-12)19-16(18-14)7-4-11-8-13(20)9-11/h5-6,10-11H,4,7-9H2,1-3H3,(H,18,19)
InChIKey
HAXKWTDYQVVUFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
80.85
TPSA
45.75
LogP / Solubility
WLOGP
3.77
MLOGP
3.33
XLogP3
3.5
Consensus LogP
3.53
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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