![CAS 1257381-44-4 2-oxa-7-azaspiro[3.5]nonane 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257381-44-4.gif)
CAS RN: 1257381-44-4
2-oxa-7-azaspiro[3.5]nonane 2,2,2-trifluoroacetate
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.20260126 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-030998
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 |
1257381-44-4 / 2-oxa-7-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
Basic Information
CAS
1257381-44-4
Multi CAS
No
Molecular Formula
C9H14F3NO3
Molecular Weight
241.210000
Exact Mass
241.092578
SMILES
C1CNCCC12COC2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C7H13NO.C2HF3O2/c1-3-8-4-2-7(1)5-9-6-7;3-2(4,5)1(6)7/h8H,1-6H2;(H,6,7)
InChIKey
PYXPVVNETLDIPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.89
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.05
TPSA
58.56
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
1.02
Consensus LogP
0.98
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-3.47
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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