CAS RN: 2231674-25-0
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.20250723 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-108841
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 |
2231674-25-0 / 2-(trifluoromethyl)-7-azaspiro[3.5]nonan-2-ol;hydrochloride
Basic Information
CAS
2231674-25-0
Multi CAS
No
Molecular Formula
C9H15ClF3NO
Molecular Weight
245.670000
Exact Mass
245.079426
SMILES
C1CNCCC12CC(C2)(C(F)(F)F)O.Cl
InChI
InChI=1S/C9H14F3NO.ClH/c10-9(11,12)8(14)5-7(6-8)1-3-13-4-2-7;/h13-14H,1-6H2;1H
InChIKey
IBFSICSTGLCGOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.02
TPSA
32.26
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
1.87
Consensus LogP
1.8
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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