![CAS 709000-02-2 2-[1-(6-METHOXY-2-NAPHTHYL)ETHYL]-1H-BENZIMIDAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7343908.gif)
CAS RN: 709000-02-2
2-[1-(6-METHOXY-2-NAPHTHYL)ETHYL]-1H-BENZIMIDAZOLE
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.20250925 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS709000-02-2
- Purity/Analytical Methods: >99.0%
709000-02-2 / 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1H-benzimidazole
Basic Information
CAS
709000-02-2
Multi CAS
Yes
Molecular Formula
C20H18N2O
Molecular Weight
302.400000
Exact Mass
302.141913
InChI
InChI=1S/C20H18N2O/c1-13(20-21-18-5-3-4-6-19(18)22-20)14-7-8-16-12-17(23-2)10-9-15(16)11-14/h3-13H,1-2H3,(H,21,22)
InChIKey
UDIAOOPLLRAFMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.11
TPSA
37.91
LogP / Solubility
WLOGP
4.88
MLOGP
4.3
XLogP3
5
Consensus LogP
4.73
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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