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CAS RN: 1946010-91-8
tert-butyl (3S,4S)-4-methyl-3-(methylamino)piperidine-1-carboxylate hemioxalate
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.20250918 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-091803
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 | Shanghai | Inquiry |
1946010-91-8 / bis(tert-butyl (3S,4S)-4-methyl-3-(methylamino)piperidine-1-carboxylate);oxalic acid
Basic Information
CAS
1946010-91-8
Multi CAS
No
Molecular Formula
C26H50N4O8
Molecular Weight
546.700000
Exact Mass
546.362865
SMILES
C[C@H]1CCN(C[C@H]1NC)C(=O)OC(C)(C)C.C[C@H]1CCN(C[C@H]1NC)C(=O)OC(C)(C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/2C12H24N2O2.C2H2O4/c2*1-9-6-7-14(8-10(9)13-5)11(15)16-12(2,3)4;3-1(4)2(5)6/h2*9-10,13H,6-8H2,1-5H3;(H,3,4)(H,5,6)/t2*9-,10+;/m00./s1
InChIKey
GWKASSJXQHAKDZ-JBWFWECBSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
144.14
TPSA
157.74
LogP / Solubility
WLOGP
2.86
MLOGP
2.56
XLogP3
2.86
Consensus LogP
2.76
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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