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CAS 52338-78-0 N-(2-SULFOETHYL)MALEIMIDE molecular structure lightbox
CAS RN: 52338-78-0

N-(2-SULFOETHYL)MALEIMIDE

  • Product code: SSC-159448
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 52338-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

52338-78-0 / 2-(2,5-dioxopyrrol-1-yl)ethanesulfonic acid

Standard CAS: 52338-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52338-78-0
Multi CAS
No
Molecular Formula
C6H7NO5S
Molecular Weight
205.190000
Exact Mass
205.004494
InChI
InChI=1S/C6H7NO5S/c8-5-1-2-6(9)7(5)3-4-13(10,11)12/h1-2H,3-4H2,(H,10,11,12)
InChIKey
CDFOEAHRZSEKEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.28
TPSA
91.75

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.06
XLogP3
-0.5
Consensus LogP
-0.92
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
Class (SILICOS-IT)
Very 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)
-4.82

Drug-likeness / Medicinal Chemistry

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

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