CAS RN: 2135284-21-6
(R)-tert-butyl 3-oxo-2-phenylpiperazine-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.20250423 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2135284-21-6
- Purity/Analytical Methods: >99.0%
2135284-21-6 / tert-butyl (2R)-3-oxo-2-phenylpiperazine-1-carboxylate
Basic Information
CAS
2135284-21-6
Multi CAS
No
Molecular Formula
C15H20N2O3
Molecular Weight
276.330000
Exact Mass
276.147393
SMILES
CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-10-9-16-13(18)12(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKey
XWYOGPGTTFWZAP-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.13
TPSA
58.64
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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