CAS RN: 1222106-99-1
(S)-1-N-BOC-2-ETHYL-PIPERAZINE-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.20260405 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1222106-99-1
- Purity/Analytical Methods: >99.0%
1222106-99-1 / tert-butyl (2S)-2-ethylpiperazine-1-carboxylate;hydrochloride
Basic Information
CAS
1222106-99-1
Multi CAS
No
Molecular Formula
C11H23ClN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
SMILES
CC[C@H]1CNCCN1C(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C11H22N2O2.ClH/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4;/h9,12H,5-8H2,1-4H3;1H/t9-;/m0./s1
InChIKey
UTFFBNCKEZSWAK-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.14
TPSA
41.57
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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)
-2.81
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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