![CAS 1158357-67-5 3-(trifluoroMethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1158357-67-5.gif)
CAS RN: 1158357-67-5
3-(trifluoroMethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine hydrochloride
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.20251220 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1158357-67-5
- Purity/Analytical Methods: >99.0%
1158357-67-5 / 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride
3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine hydrochloride | 3-(trifluoromethyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine hydrochloride | MFCD18909425
Basic Information
CAS
1158357-67-5
Multi CAS
No
Molecular Formula
C8H8ClF3N2
Molecular Weight
224.610000
Exact Mass
224.032810
SMILES
C1C2=C(CN1)N=CC(=C2)C(F)(F)F.Cl
InChI
InChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-1-5-2-12-4-7(5)13-3-6;/h1,3,12H,2,4H2;1H
InChIKey
MFAXHHHALDAFEN-UHFFFAOYSA-N
Synonyms
3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine hydrochloride
3-(trifluoromethyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine hydrochloride
MFCD18909425
3-(trifluoromethyl)-6,7-dihydro-5h-pyrrolo[3,4-b]pyridine hcl
3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.03
TPSA
24.92
LogP / Solubility
WLOGP
2.13
MLOGP
1.87
XLogP3
2.13
Consensus LogP
2.04
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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