CAS RN: 444892-54-0
T-BUTYL-4-(2-AMINO-1-PHENYLETHYL)PIPERAZINE 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.20260104 | 0.5g / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS444892-54-0
- Purity/Analytical Methods: >99.0%
444892-54-0 / tert-butyl 4-(2-amino-1-phenylethyl)piperazine-1-carboxylate
Basic Information
CAS
444892-54-0
Multi CAS
Yes
Molecular Formula
C17H27N3O2
Molecular Weight
305.400000
Exact Mass
305.210327
InChI
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-9-19(10-12-20)15(13-18)14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3
InChIKey
NOVUBWBKZLPMFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.62
TPSA
58.8
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
1.5
Consensus LogP
1.91
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.99
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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