![CAS 1774893-22-9 6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1774893-22-9.gif)
CAS RN: 1774893-22-9
6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1774893-22-9
- Purity/Analytical Methods: >99.0%
1774893-22-9 / 6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
Basic Information
CAS
1774893-22-9
Multi CAS
No
Molecular Formula
C9H9F3N2O2
Molecular Weight
234.170000
Exact Mass
234.061612
SMILES
C1CC2=NC(=CN2CC1C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-2-7-13-6(8(15)16)4-14(7)3-5/h4-5H,1-3H2,(H,15,16)
InChIKey
NPENBVWMGGBQFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.05
TPSA
55.12
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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