CAS RN: 2135344-94-2
(R)-tert-butyl 2-benzyl-4-methylpiperazine-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.20260517 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2135344-94-2
- Purity/Analytical Methods: >99.0%
2135344-94-2 / tert-butyl (2R)-2-benzyl-4-methylpiperazine-1-carboxylate;hydrochloride
Basic Information
CAS
2135344-94-2
Multi CAS
No
Molecular Formula
C17H27ClN2O2
Molecular Weight
326.900000
Exact Mass
326.176106
SMILES
CC(C)(C)OC(=O)N1CCN(C[C@H]1CC2=CC=CC=C2)C.Cl
InChI
InChI=1S/C17H26N2O2.ClH/c1-17(2,3)21-16(20)19-11-10-18(4)13-15(19)12-14-8-6-5-7-9-14;/h5-9,15H,10-13H2,1-4H3;1H/t15-;/m1./s1
InChIKey
WERVKGMXGHCVBD-XFULWGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.62
TPSA
32.78
LogP / Solubility
WLOGP
3.2
MLOGP
2.83
XLogP3
3.2
Consensus LogP
3.08
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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