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CAS 1250701-99-5 4-(2-methoxyacetyl)piperazin-2-one molecular structure lightbox
CAS RN: 1250701-99-5

4-(2-methoxyacetyl)piperazin-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1250701-99-5
  • Purity/Analytical Methods: >99.0%
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1250701-99-5 / 4-(2-methoxyacetyl)piperazin-2-one

Standard CAS: 1250701-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1250701-99-5
Multi CAS
No
Molecular Formula
C7H12N2O3
Molecular Weight
172.180000
Exact Mass
172.084792
SMILES
COCC(=O)N1CCNC(=O)C1
InChI
InChI=1S/C7H12N2O3/c1-12-5-7(11)9-3-2-8-6(10)4-9/h2-5H2,1H3,(H,8,10)
InChIKey
CGSJUIYLUYKKDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.47
TPSA
58.64

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.24
XLogP3
-1.3
Consensus LogP
-1.32
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.15
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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