CAS RN: 236406-33-0
tert-butyl 4-(2-hydroxyethyl)-4-methylpiperidine-1-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.20260109 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-115061
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
236406-33-0 / tert-butyl 4-(2-hydroxyethyl)-4-methylpiperidine-1-carboxylate
Basic Information
CAS
236406-33-0
Multi CAS
No
Molecular Formula
C13H25NO3
Molecular Weight
243.340000
Exact Mass
243.183444
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)CCO
InChI
InChI=1S/C13H25NO3/c1-12(2,3)17-11(16)14-8-5-13(4,6-9-14)7-10-15/h15H,5-10H2,1-4H3
InChIKey
RXLUHODTRLEMKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.85
TPSA
49.77
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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