CAS RN: 824431-97-2
4-Iodo-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazole
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.20251125 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS824431-97-2
- Purity/Analytical Methods: >99.0%
824431-97-2 / 4-iodo-2-methyl-1-(2,2,2-trifluoroethyl)imidazole
Basic Information
CAS
824431-97-2
Multi CAS
No
Molecular Formula
C6F3H6In2
Molecular Weight
290.020000
Exact Mass
289.952780
InChI
InChI=1S/C6H6F3IN2/c1-4-11-5(10)2-12(4)3-6(7,8)9/h2H,3H2,1H3
InChIKey
GGSVXDGOBFDIRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.74
TPSA
17.82
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
2.1
Consensus LogP
2.18
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
GFT505
- CAS RN: 824932-88-9
- Product Code: starshine_CAS824932-88-9
- Purity/Analytical method: >99.0%
-
Methyl 1-(4-aMinophenyl)cyclopropanecarboxylate
- CAS RN: 824937-45-3
- Product Code: SSC-190603
-
(1S,2S) 2-(1-pyrrolidinyl)-cyclohexanaMine
- CAS RN: 824938-97-8
- Product Code: starshine_CAS824938-97-8
- Purity/Analytical method: >99.0%
-
“(1S,2S)-trans-2-(1-Piperidinyl)cyclohexylaMine”
- CAS RN: 824938-98-9
- Product Code: starshine_CAS824938-98-9
- Purity/Analytical method: >99.0%
-
-
