CAS RN: 1241725-73-4
(S)-1-BOc-2-isopropyl-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.20250722 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1241725-73-4
- Purity/Analytical Methods: >99.0%
1241725-73-4 / tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
Basic Information
CAS
1241725-73-4
Multi CAS
No
Molecular Formula
C12H25ClN2O2
Molecular Weight
264.790000
Exact Mass
264.160456
SMILES
CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C12H24N2O2.ClH/c1-9(2)10-8-13-6-7-14(10)11(15)16-12(3,4)5;/h9-10,13H,6-8H2,1-5H3;1H/t10-;/m1./s1
InChIKey
ILEMLVIGGJLCHC-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.68
TPSA
41.57
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.72
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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