CAS RN: 881409-85-4
1H-Imidazole, 5-(1-phenylethyl)-
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.20250506 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS881409-85-4
- Purity/Analytical Methods: >99.0%
881409-85-4 / 5-(1-phenylethyl)-1H-imidazole
Basic Information
CAS
881409-85-4
Multi CAS
No
Molecular Formula
C11H12N2
Molecular Weight
172.230000
Exact Mass
172.100048
InChI
InChI=1S/C11H12N2/c1-9(11-7-12-8-13-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,12,13)
InChIKey
FDKDATUVJLVLHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.55
TPSA
28.68
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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