CAS RN: 1821804-11-8
(R)-di-tert-butyl 2-Methylpiperazine-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.20260507 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-083174
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 | Hong Kong | Inquiry |
1821804-11-8 / ditert-butyl (2R)-2-methylpiperazine-1,4-dicarboxylate
Basic Information
CAS
1821804-11-8
Multi CAS
No
Molecular Formula
C15H28N2O4
Molecular Weight
300.390000
Exact Mass
300.204907
SMILES
C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKey
IMKNVNIIMKCRIO-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
80.21
TPSA
59.08
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.2
Consensus LogP
2.53
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
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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