CAS RN: 1932435-09-0
(R)-2-(4-(tert-butoxycarbonyl)piperazin-2-yl)acetic acid
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.20250318 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1932435-09-0
- Purity/Analytical Methods: >99.0%
1932435-09-0 / 2-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]acetic acid
Basic Information
CAS
1932435-09-0
Multi CAS
No
Molecular Formula
C11H20N2O4
Molecular Weight
244.290000
Exact Mass
244.142307
SMILES
CC(C)(C)OC(=O)N1CCN[C@@H](C1)CC(=O)O
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-4-12-8(7-13)6-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKey
JTCVUIFTKFUZNA-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.85
TPSA
78.87
LogP / Solubility
WLOGP
0.67
MLOGP
0.59
XLogP3
-2.3
Consensus LogP
-0.35
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.73
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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