CAS RN: 1788054-84-1
tert-butyl 4-(1-hydroxycyclopropanecarbonyl)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.20260128 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-079622
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1788054-84-1 / tert-butyl 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carboxylate
Basic Information
CAS
1788054-84-1
Multi CAS
No
Molecular Formula
C13H22N2O4
Molecular Weight
270.320000
Exact Mass
270.157957
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2(CC2)O
InChI
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-8-6-14(7-9-15)10(16)13(18)4-5-13/h18H,4-9H2,1-3H3
InChIKey
ZLHDQDQGKKCUHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.57
TPSA
70.08
LogP / Solubility
WLOGP
0.59
MLOGP
0.53
XLogP3
0.1
Consensus LogP
0.41
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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