CAS RN: 51721-22-3
(4-tert-butyl-1H-iMidazol-5-yl)Methanol
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.20250622 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS51721-22-3
- Purity/Analytical Methods: >99.0%
51721-22-3 / (4-tert-butyl-1H-imidazol-5-yl)methanol
Basic Information
CAS
51721-22-3
Multi CAS
No
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
InChI
InChI=1S/C8H14N2O/c1-8(2,3)7-6(4-11)9-5-10-7/h5,11H,4H2,1-3H3,(H,9,10)
InChIKey
DKGPAJORZYZGOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.21
TPSA
48.91
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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