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CAS 660843-23-2 1-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione molecular structure lightbox
CAS RN: 660843-23-2

1-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-1H-pyrrole-2,5-dione

  • Product code: SSC-175729
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 660843-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

660843-23-2 / 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

Standard CAS: 660843-23-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
660843-23-2
Multi CAS
Yes
Molecular Formula
C12F3H17N2O6
Molecular Weight
342.270000
Exact Mass
342.103871
InChI
InChI=1S/C10H16N2O4.C2HF3O2/c11-3-5-15-7-8-16-6-4-12-9(13)1-2-10(12)14;3-2(4,5)1(6)7/h1-2H,3-8,11H2;(H,6,7)
InChIKey
WAOHORIEWBUISG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.58
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.24
TPSA
119.16

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.39
XLogP3
-0.46
Consensus LogP
-0.44
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-5.14

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
2.5

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