![CAS 1228631-69-3 2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 5,5-difluoro-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228631-69-3.gif)
CAS RN: 1228631-69-3
2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 5,5-difluoro-, 1,1-dimethylethyl ester
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.20250719 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-026492
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1228631-69-3 / tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
Basic Information
CAS
1228631-69-3
Multi CAS
No
Molecular Formula
C12H20F2N2O2
Molecular Weight
262.300000
Exact Mass
262.149284
SMILES
CC(C)(C)OC(=O)N1CCC2(CNC2)C(C1)(F)F
InChI
InChI=1S/C12H20F2N2O2/c1-10(2,3)18-9(17)16-5-4-11(6-15-7-11)12(13,14)8-16/h15H,4-8H2,1-3H3
InChIKey
DPKMOHMENJEEJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.67
TPSA
41.57
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
1.4
Consensus LogP
1.63
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.9
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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