CAS RN: 1033717-19-9
1-Piperazinecarboxylic acid, 2,4-diMethyl-, 1,1-diMethylethyl ester, (2R)-
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.20250609 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1033717-19-9
- Purity/Analytical Methods: >99.0%
1033717-19-9 / tert-butyl (2R)-2,4-dimethylpiperazine-1-carboxylate
(R)-TERT-BUTYL 2,4-DIMETHYLPIPERAZINE-1-CARBOXYLATE | tert-butyl (2r)-2,4-dimethylpiperazine-1-carboxylate | SCHEMBL10196598
Basic Information
CAS
1033717-19-9
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H22N2O2/c1-9-8-12(5)6-7-13(9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKey
JHTVXFPQRSFQHL-SECBINFHSA-N
Synonyms
(R)-TERT-BUTYL 2,4-DIMETHYLPIPERAZINE-1-CARBOXYLATE
tert-butyl (2r)-2,4-dimethylpiperazine-1-carboxylate
SCHEMBL10196598
AKOS024262550
DB-215194
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.9
TPSA
32.78
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.92
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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