CAS RN: 1381958-53-7
(R)-tert-butyl 2-tert-butylpiperazine-1-carboxylate HCl
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.20251129 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1381958-53-7
- Purity/Analytical Methods: >99.0%
1381958-53-7 / tert-butyl (2R)-2-tert-butylpiperazine-1-carboxylate;hydrochloride
Basic Information
CAS
1381958-53-7
Multi CAS
No
Molecular Formula
C13H27ClN2O2
Molecular Weight
278.820000
Exact Mass
278.176106
SMILES
CC(C)(C)[C@@H]1CNCCN1C(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C13H26N2O2.ClH/c1-12(2,3)10-9-14-7-8-15(10)11(16)17-13(4,5)6;/h10,14H,7-9H2,1-6H3;1H/t10-;/m0./s1
InChIKey
ADQLANUYQADSBC-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.3
TPSA
41.57
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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