CAS RN: 279227-92-8
(R)-1-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-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.20251103 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS279227-92-8
- Purity/Analytical Methods: >99.0%
279227-92-8 / 1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate;hydrochloride
Basic Information
CAS
279227-92-8
Multi CAS
Yes
Molecular Formula
C11H21ClN2O4
Molecular Weight
280.750000
Exact Mass
280.118985
InChI
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H
InChIKey
MESGHYLTRXYTHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.86
TPSA
67.87
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.87
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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