CAS RN: 944268-66-0
Demiditraz IMpurity
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.20260122 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS944268-66-0
- Purity/Analytical Methods: >99.0%
944268-66-0 / 1-(1-benzylimidazol-2-yl)-1-(2,3-dimethylphenyl)ethanol
Basic Information
CAS
944268-66-0
Multi CAS
No
Molecular Formula
C20H22N2O
Molecular Weight
306.400000
Exact Mass
306.173213
InChI
InChI=1S/C20H22N2O/c1-15-8-7-11-18(16(15)2)20(3,23)19-21-12-13-22(19)14-17-9-5-4-6-10-17/h4-13,23H,14H2,1-3H3
InChIKey
DLAVTYVDQFLJBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.36
TPSA
38.05
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
3.4
Consensus LogP
3.52
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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