CAS RN: 1638487-43-0
(S)-tert-Butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate hydrochloride
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.20250120 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1638487-43-0
- Purity/Analytical Methods: >99.0%
1638487-43-0 / tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
Basic Information
CAS
1638487-43-0
Multi CAS
No
Molecular Formula
C11H23ClN2O3
Molecular Weight
266.760000
Exact Mass
266.139720
SMILES
CC(C)(C)OC(=O)N1CCNC[C@@H]1CCO.Cl
InChI
InChI=1S/C11H22N2O3.ClH/c1-11(2,3)16-10(15)13-6-5-12-8-9(13)4-7-14;/h9,12,14H,4-8H2,1-3H3;1H/t9-;/m0./s1
InChIKey
IHAAIADIADPGMB-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.55
TPSA
61.8
LogP / Solubility
WLOGP
1
MLOGP
0.89
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.64
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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