CAS RN: 2622-61-9
1-(4-METHOXYPHENYL)-1H-BENZOIMIDAZOLE
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.20251127 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2622-61-9
- Purity/Analytical Methods: >99.0%
2622-61-9 / 1-(4-methoxyphenyl)benzimidazole
Basic Information
CAS
2622-61-9
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
InChI
InChI=1S/C14H12N2O/c1-17-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKey
KLXBTJMLKGVJTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.62
TPSA
27.05
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
3.1
Consensus LogP
2.93
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 2622-73-3
- Product Code: starshine_CAS2622-73-3
- Purity/Analytical method: >99.0%
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