CAS RN: 934666-06-5
1-Piperidinecarboxylic acid, 2-(3-hydroxy-3-azetidinyl)-, 1,1-diMethylethyl ester
- Product code: SSC-207719
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 | Shanghai | Inquiry |
934666-06-5 / tert-butyl 2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
Basic Information
CAS
934666-06-5
Multi CAS
No
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-5-4-6-10(15)13(17)8-14-9-13/h10,14,17H,4-9H2,1-3H3
InChIKey
DBXFIYLGJDPVHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.4
TPSA
61.8
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.6
Consensus LogP
0.9
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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