CAS RN: 1932411-32-9
ditert-butyl (2R)-2-(aminomethyl)piperazine-1,4-dicarboxylate
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.20250602 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-090553
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: ＞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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1932411-32-9 / ditert-butyl (2R)-2-(aminomethyl)piperazine-1,4-dicarboxylate
Basic Information
CAS
1932411-32-9
Multi CAS
No
Molecular Formula
C15H29N3O4
Molecular Weight
315.410000
Exact Mass
315.215806
SMILES
CC(C)(C)OC(=O)N1CCN([C@@H](C1)CN)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-7-8-18(11(9-16)10-17)13(20)22-15(4,5)6/h11H,7-10,16H2,1-6H3/t11-/m1/s1
InChIKey
XJELTUFOFGNOTB-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.59
TPSA
85.1
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
0.9
Consensus LogP
1.43
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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