![CAS 905273-66-7 3-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/905273-66-7.gif)
CAS RN: 905273-66-7
3-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
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.20250905 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS905273-66-7
- Purity/Analytical Methods: >99.0%
905273-66-7 / 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
Basic Information
CAS
905273-66-7
Multi CAS
No
Molecular Formula
C8F3H7N2
Molecular Weight
188.150000
Exact Mass
188.056133
InChI
InChI=1S/C8H7F3N2/c9-8(10,11)6-1-5-2-12-4-7(5)13-3-6/h1,3,12H,2,4H2
InChIKey
SXVAWVOBVDWMMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.78
TPSA
24.92
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
0.7
Consensus LogP
1.3
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.66
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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![CAS 905274-04-6 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/905274-04-6.gif)
