![CAS 1152439-79-6 IMidazo[1,5-a]pyrazin-1-aMine, 5,6,7,8-tetrahydro-3-(trifluoroMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1152439-79-6.gif)
CAS RN: 1152439-79-6
IMidazo[1,5-a]pyrazin-1-aMine, 5,6,7,8-tetrahydro-3-(trifluoroMethyl)-
- Product code: SSC-014922
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1152439-79-6 / 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-amine
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-amine | MFCD24848667 | Imidazo[1,5-a]pyrazin-1-amine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-
Basic Information
CAS
1152439-79-6
Multi CAS
No
Molecular Formula
C7H9F3N4
Molecular Weight
206.170000
Exact Mass
206.077931
SMILES
C1CN2C(=C(N=C2C(F)(F)F)N)CN1
InChI
InChI=1S/C7H9F3N4/c8-7(9,10)6-13-5(11)4-3-12-1-2-14(4)6/h12H,1-3,11H2
InChIKey
ICRREDWWEPZSEU-UHFFFAOYSA-N
Synonyms
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-amine
MFCD24848667
Imidazo[1,5-a]pyrazin-1-amine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-
SCHEMBL27800792
ICRREDWWEPZSEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.35
TPSA
55.87
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
-0.3
Consensus LogP
0.27
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-3.56
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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