CAS RN: 1018248-96-8
tert-butyl 4-(1-aminopropan-2-yl)piperazine-1-carboxylate
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.20260403 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-002847
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 | Shenzhen | Inquiry |
1018248-96-8 / tert-butyl 4-(1-aminopropan-2-yl)piperazine-1-carboxylate
tert-butyl 4-(1-aminopropan-2-yl)piperazine-1-carboxylate | MFCD10015119 | SCHEMBL29162701
Basic Information
CAS
1018248-96-8
Multi CAS
No
Molecular Formula
C12H25N3O2
Molecular Weight
243.350000
Exact Mass
243.194677
SMILES
CC(CN)N1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H25N3O2/c1-10(9-13)14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKey
BYCHAILZTCZXAW-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(1-aminopropan-2-yl)piperazine-1-carboxylate
MFCD10015119
SCHEMBL29162701
AKOS010958025
1-Boc-4-(1-amino-2-propyl)piperazine
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.9
TPSA
58.8
LogP / Solubility
WLOGP
0.89
MLOGP
0.79
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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