CAS RN: 1217482-29-5
(R)-1-N-BOC-2-ISOBUTYLPIPERAZINE-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.20260410 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217482-29-5
- Purity/Analytical Methods: >99.0%
1217482-29-5 / tert-butyl (2R)-2-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
Basic Information
CAS
1217482-29-5
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/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5;/h10-11,14H,6-9H2,1-5H3;1H/t11-;/m1./s1
InChIKey
RQWJCFZPHVSVNK-RFVHGSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
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)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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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