![CAS 2137997-74-9 tert-butyl 5,5-difluoro-2,7-diazaspiro[3.4]octane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2137997-74-9.png)
CAS RN: 2137997-74-9
tert-butyl 5,5-difluoro-2,7-diazaspiro[3.4]octane-2-carboxylate
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.20260214 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-102316
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2137997-74-9 / tert-butyl 5,5-difluoro-2,7-diazaspiro[3.4]octane-2-carboxylate
Basic Information
CAS
2137997-74-9
Multi CAS
No
Molecular Formula
C11H18F2N2O2
Molecular Weight
248.270000
Exact Mass
248.133634
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNCC2(F)F
InChI
InChI=1S/C11H18F2N2O2/c1-9(2,3)17-8(16)15-6-10(7-15)4-14-5-11(10,12)13/h14H,4-7H2,1-3H3
InChIKey
DOGQPOKUZVLPJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.06
TPSA
41.57
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.2
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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