CAS RN: 1024618-84-5
(1-ISOPROPYL-3-OXO-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.20251126 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1024618-84-5
- Purity/Analytical Methods: >99.0%
1024618-84-5 / 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetic acid
(1-isopropyl-3-oxo-2-piperazinyl)acetic acid | (1-Isopropyl-3-oxo-piperazin-2-yl)-acetic acid | 2-(1-isopropyl-3-oxopiperazin-2-yl)acetic acid
Basic Information
CAS
1024618-84-5
Multi CAS
No
Molecular Formula
C9H16N2O3
Molecular Weight
200.230000
Exact Mass
200.116092
SMILES
CC(C)N1CCNC(=O)C1CC(=O)O
InChI
InChI=1S/C9H16N2O3/c1-6(2)11-4-3-10-9(14)7(11)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKey
NJZMHNHROHOKDK-UHFFFAOYSA-N
Synonyms
(1-isopropyl-3-oxo-2-piperazinyl)acetic acid
(1-Isopropyl-3-oxo-piperazin-2-yl)-acetic acid
2-(1-isopropyl-3-oxopiperazin-2-yl)acetic acid
MFCD05870470
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetic acid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.89
TPSA
69.64
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.29
XLogP3
-2.6
Consensus LogP
-1.07
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-4.18
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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