CAS RN: 1627748-01-9
tert-butyl 2-methyl-5-oxopiperazine-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.20260105 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1627748-01-9
- Purity/Analytical Methods: >99.0%
1627748-01-9 / tert-butyl 2-methyl-5-oxopiperazine-1-carboxylate
Basic Information
CAS
1627748-01-9
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CC1CNC(=O)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H18N2O3/c1-7-5-11-8(13)6-12(7)9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,13)
InChIKey
NYBJRGJELSODLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.41
TPSA
58.64
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-3.5
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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