![CAS 1282532-00-6 4,4-difluoro-6-azaspiro[2.5]octane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282532-00-6.gif)
CAS RN: 1282532-00-6
4,4-difluoro-6-azaspiro[2.5]octane hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-035565
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 | Hong Kong | Inquiry |
1282532-00-6 / 8,8-difluoro-6-azaspiro[2.5]octane;hydrochloride
Basic Information
CAS
1282532-00-6
Multi CAS
No
Molecular Formula
C7H12ClF2N
Molecular Weight
183.630000
Exact Mass
183.062633
SMILES
C1CC12CCNCC2(F)F.Cl
InChI
InChI=1S/C7H11F2N.ClH/c8-7(9)5-10-4-3-6(7)1-2-6;/h10H,1-5H2;1H
InChIKey
BBUIJUSZIDUWFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.35
TPSA
12.03
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.55
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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