CAS RN: 28833-81-0

N-ACETOXYETHYL SUCCINIMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS28833-81-0
  • Purity/Analytical Methods: >99.0%
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28833-81-0 / 2-(2,5-dioxopyrrolidin-1-yl)ethyl acetate

Standard CAS: 28833-81-0 Multi CAS: No

Basic Information

CAS
28833-81-0
Multi CAS
No
Molecular Formula
C8H11NO4
Molecular Weight
185.180000
Exact Mass
185.068808
InChI
InChI=1S/C8H11NO4/c1-6(10)13-5-4-9-7(11)2-3-8(9)12/h2-5H2,1H3
InChIKey
ZDUSSQMGOYSNRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.59
TPSA
63.68

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-1
Consensus LogP
-0.52
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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