![CAS 1121051-31-7 6-Bromo-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1121051-31-7.gif)
CAS RN: 1121051-31-7
6-Bromo-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid
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.20250424 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1121051-31-7
- Purity/Analytical Methods: >99.0%
1121051-31-7 / 6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid | 6-bromo-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid | MFCD19687630
Basic Information
CAS
1121051-31-7
Multi CAS
No
Molecular Formula
C9H4BrF3N2O2
Molecular Weight
309.040000
Exact Mass
307.940820
SMILES
C1=C(C2=NC(=CN2C=C1Br)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H4BrF3N2O2/c10-4-1-5(9(11,12)13)7-14-6(8(16)17)3-15(7)2-4/h1-3H,(H,16,17)
InChIKey
JDFYQROKYZZMOU-UHFFFAOYSA-N
Synonyms
6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
6-bromo-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid
MFCD19687630
SCHEMBL3688630
JDFYQROKYZZMOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.85
TPSA
54.6
LogP / Solubility
WLOGP
2.81
MLOGP
2.49
XLogP3
3.2
Consensus LogP
2.83
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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