![CAS 144230-47-7 6-Azaspiro[2.5]octane,1,1-difluoro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144230-47-7.gif)
CAS RN: 144230-47-7
6-Azaspiro[2.5]octane,1,1-difluoro-(9CI)
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.20251227 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS144230-47-7
- Purity/Analytical Methods: >99.0%
144230-47-7 / 2,2-difluoro-6-azaspiro[2.5]octane
Basic Information
CAS
144230-47-7
Multi CAS
No
Molecular Formula
C7H11F2N
Molecular Weight
147.170000
Exact Mass
147.085956
SMILES
C1CNCCC12CC2(F)F
InChI
InChI=1S/C7H11F2N/c8-7(9)5-6(7)1-3-10-4-2-6/h10H,1-5H2
InChIKey
NESANIIIIJLTDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.1
TPSA
12.03
LogP / Solubility
WLOGP
1.4
MLOGP
1.22
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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