CAS RN: 191544-97-5
1H-IMIDAZOLE, 5-IODO-1-(TRIPHENYLMETHYL)-
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.20250917 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS191544-97-5
- Purity/Analytical Methods: >99.0%
191544-97-5 / 5-iodo-1-tritylimidazole
Basic Information
CAS
191544-97-5
Multi CAS
No
Molecular Formula
C22H17IN2
Molecular Weight
436.300000
Exact Mass
436.043650
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC=C4I
InChI
InChI=1S/C22H17IN2/c23-21-16-24-17-25(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey
RHIHYGRNJPIXIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
109.55
TPSA
17.82
LogP / Solubility
WLOGP
5.33
MLOGP
4.72
XLogP3
5.5
Consensus LogP
5.18
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
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
Yes
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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