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CAS 70967-79-2 2,5-Pyrrolidinedione, 1,1′-[1,4-phenylenebis(carbonyloxy)]bis- molecular structure lightbox
CAS RN: 70967-79-2

2,5-Pyrrolidinedione, 1,1′-[1,4-phenylenebis(carbonyloxy)]bis-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260413 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-180663
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 70967-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

70967-79-2 / bis(2,5-dioxopyrrolidin-1-yl) benzene-1,4-dicarboxylate

Standard CAS: 70967-79-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70967-79-2
Multi CAS
No
Molecular Formula
C16H12N2O8
Molecular Weight
360.270000
Exact Mass
360.059365
InChI
InChI=1S/C16H12N2O8/c19-11-5-6-12(20)17(11)25-15(23)9-1-2-10(4-3-9)16(24)26-18-13(21)7-8-14(18)22/h1-4H,5-8H2
InChIKey
CMPOTSZEEVQDLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
79.45
TPSA
127.36

LogP / Solubility

WLOGP
0.13
MLOGP
0.13
XLogP3
-0.1
Consensus LogP
0.05
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-4.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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