CAS RN: 1224935-95-8
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
- Product code: SSC-025431
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: ≥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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1224935-95-8 / tert-butyl 4-cyclohexylpiperazine-1-carboxylate
Basic Information
CAS
1224935-95-8
Multi CAS
No
Molecular Formula
C15H28N2O2
Molecular Weight
268.390000
Exact Mass
268.215078
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2CCCCC2
InChI
InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKey
ORXKBWINKNLAAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
76.25
TPSA
32.78
LogP / Solubility
WLOGP
2.87
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
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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