CAS RN: 958026-98-7
1-Boc-4-(2-ethoxy-2-oxoethylidene)-3,3-diMethylpiperidine
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.20260503 | 250mg / 500mg / 1g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-211467
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 |
958026-98-7 / tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate
Basic Information
CAS
958026-98-7
Multi CAS
Yes
Molecular Formula
C16H27NO4
Molecular Weight
297.390000
Exact Mass
297.194008
InChI
InChI=1S/C16H27NO4/c1-7-20-13(18)10-12-8-9-17(11-16(12,5)6)14(19)21-15(2,3)4/h10H,7-9,11H2,1-6H3/b12-10+
InChIKey
KYIWNEHNGQWVBP-ZRDIBKRKSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
80.92
TPSA
55.84
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
2.6
Consensus LogP
2.84
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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