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CAS 55943-72-1 1-(2-bromoethyl)pyrrolidine-2,5-dione molecular structure lightbox
CAS RN: 55943-72-1

1-(2-bromoethyl)pyrrolidine-2,5-dione

  • Product code: SSC-163890
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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, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 55943-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

55943-72-1 / 1-(2-bromoethyl)pyrrolidine-2,5-dione

Standard CAS: 55943-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55943-72-1
Multi CAS
No
Molecular Formula
BC6H8O2Rn
Molecular Weight
206.040000
Exact Mass
204.973840
InChI
InChI=1S/C6H8BrNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2
InChIKey
AXYDHHRUFSOIAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.75
TPSA
37.38

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
-0.1
Consensus LogP
0.3
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.6

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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