![CAS 1781616-14-5 Imidazo[1,5-a]pyridine-3-acetic acid, 6-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1781616-14-5.gif)
CAS RN: 1781616-14-5
Imidazo[1,5-a]pyridine-3-acetic acid, 6-(trifluoromethyl)-
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.20250915 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1781616-14-5
- Purity/Analytical Methods: >99.0%
1781616-14-5 / 2-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]acetic acid
Basic Information
CAS
1781616-14-5
Multi CAS
No
Molecular Formula
C10H7F3N2O2
Molecular Weight
244.170000
Exact Mass
244.045962
SMILES
C1=CC(=CN2C1=CN=C2CC(=O)O)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O2/c11-10(12,13)6-1-2-7-4-14-8(3-9(16)17)15(7)5-6/h1-2,4-5H,3H2,(H,16,17)
InChIKey
HYLFZMMFIKKPSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.53
TPSA
54.6
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
6-Bromo-5-Fluoro-1,2,3,4-Tetrahydroisoquinoline
- CAS RN: 1781658-50-1
- Product Code: SSC-078448
-
-
1-(8-Bromo-imidazo[1,2-a]pyridin-3-yl)-ethanone
- CAS RN: 1781699-52-2
- Product Code: SSC-078458
-
-
tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
- CAS RN: 1781740-66-6
- Product Code: SSC-078470
-
N-[(4-(Aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)-2-furancarboxamide hydrochloride
- CAS RN: 1781750-72-8
- Product Code: starshine_CAS1781750-72-8
- Purity/Analytical method: >99.0%
![CAS 1781699-52-2 1-(8-Bromo-imidazo[1,2-a]pyridin-3-yl)-ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1781699-52-2.gif)
![CAS 1781750-72-8 N-[(4-(Aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)-2-furancarboxamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1781750-72-8.gif)