CAS RN: 2349395-78-2
1-Tert-butyl 3-methyl (3R,6R)-6-methylpiperazine-1,3-dicarboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-113375
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 10g, 25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2349395-78-2 / 1-O-tert-butyl 3-O-methyl (3R,6R)-6-methylpiperazine-1,3-dicarboxylate
Basic Information
CAS
2349395-78-2
Multi CAS
No
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
SMILES
C[C@@H]1CN[C@H](CN1C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C12H22N2O4/c1-8-6-13-9(10(15)17-5)7-14(8)11(16)18-12(2,3)4/h8-9,13H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKey
XIHYZZRVLQMHEO-RKDXNWHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.21
TPSA
67.87
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76
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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