CAS RN: 425365-62-4
425365-62-4
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.20250407 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS425365-62-4
- Purity/Analytical Methods: >99.0%
425365-62-4 / 2-(4-prop-2-enoxyphenyl)-1H-benzimidazole
Basic Information
CAS
425365-62-4
Multi CAS
No
Molecular Formula
C16H14N2O
Molecular Weight
250.290000
Exact Mass
250.110613
InChI
InChI=1S/C16H14N2O/c1-2-11-19-13-9-7-12(8-10-13)16-17-14-5-3-4-6-15(14)18-16/h2-10H,1,11H2,(H,17,18)
InChIKey
SEAJZWLKXAOLIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.22
TPSA
37.91
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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