CAS RN: 926216-03-7
1-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPANE
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.20251105 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS926216-03-7
- Purity/Analytical Methods: >99.0%
926216-03-7 / 1-(2,2,2-trifluoroethyl)-1,4-diazepane
Basic Information
CAS
926216-03-7
Multi CAS
No
Molecular Formula
C7F3H13N2
Molecular Weight
182.190000
Exact Mass
182.103083
InChI
InChI=1S/C7H13F3N2/c8-7(9,10)6-12-4-1-2-11-3-5-12/h11H,1-6H2
InChIKey
BIHMTOQLCAYODT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.98
TPSA
15.27
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.23
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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