CAS RN: 388108-34-7
(3R,4R)-4-aMinopiperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
- Product code: SSC-146430
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 |
388108-34-7 / 1-O-tert-butyl 3-O-ethyl 4-aminopiperidine-1,3-dicarboxylate
Basic Information
CAS
388108-34-7
Multi CAS
Yes
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
InChI
InChI=1S/C13H24N2O4/c1-5-18-11(16)9-8-15(7-6-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKey
ORRVKLSXTZZGJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.52
TPSA
81.86
LogP / Solubility
WLOGP
1.13
MLOGP
1.01
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
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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