CAS RN: 143656-17-1
1H-Benzimidazole,1-(2-ethoxyethyl)-(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.20250205 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS143656-17-1
- Purity/Analytical Methods: >99.0%
143656-17-1 / 1-(2-ethoxyethyl)benzimidazole
Basic Information
CAS
143656-17-1
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
SMILES
CCOCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C11H14N2O/c1-2-14-8-7-13-9-12-10-5-3-4-6-11(10)13/h3-6,9H,2,7-8H2,1H3
InChIKey
JBJUUEWWQLMAJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
56.23
TPSA
27.05
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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