CAS RN: 1212133-43-1
(R)-1-Boc-2-butyl-piperazine
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.20251222 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1212133-43-1
- Purity/Analytical Methods: >99.0%
1212133-43-1 / tert-butyl (2R)-2-butylpiperazine-1-carboxylate
1-Boc-2-butyl-piperazine | tert-Butyl 2-butylpiperazine-1-carboxylate | MFCD08273959
Basic Information
CAS
1212133-43-1
Multi CAS
Yes
Molecular Formula
C13H26N2O2
Molecular Weight
242.360000
Exact Mass
242.199428
SMILES
CCCC[C@@H]1CNCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-5-6-7-11-10-14-8-9-15(11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1
InChIKey
YWHDUWJBVKOUGW-LLVKDONJSA-N
Synonyms
1-Boc-2-butyl-piperazine
tert-Butyl 2-butylpiperazine-1-carboxylate
MFCD08273959
1-Boc-2-butylpiperazine
1-Piperazinecarboxylic acid, 2-butyl-, 1,1-dimethylethyl ester
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.12
TPSA
41.57
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
2.3
Consensus LogP
2.26
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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