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CAS 91574-33-3 1H-Pyrrole-2,5-dione,1-[4-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]phenyl]- molecular structure lightbox
CAS RN: 91574-33-3

1H-Pyrrole-2,5-dione,1-[4-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]phenyl]-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-204828
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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, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 91574-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

91574-33-3 / (2,5-dioxopyrrolidin-1-yl) 2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetate

Standard CAS: 91574-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91574-33-3
Multi CAS
No
Molecular Formula
C16H12N2O6
Molecular Weight
328.280000
Exact Mass
328.069536
InChI
InChI=1S/C16H12N2O6/c19-12-5-6-13(20)17(12)11-3-1-10(2-4-11)9-16(23)24-18-14(21)7-8-15(18)22/h1-6H,7-9H2
InChIKey
RFBOLBORLAOARY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
78.96
TPSA
101.06

LogP / Solubility

WLOGP
0.27
MLOGP
0.25
XLogP3
-0.1
Consensus LogP
0.14
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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