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CAS 31295-36-0 3,4-diphenyl-1H-pyrrole-2,5-dione(WXC07876) molecular structure lightbox
CAS RN: 31295-36-0

3,4-diphenyl-1H-pyrrole-2,5-dione(WXC07876)

  • Product code: SSC-136595
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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: 0.25g
  • 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 31295-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

31295-36-0 / 3,4-diphenylpyrrole-2,5-dione

Standard CAS: 31295-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31295-36-0
Multi CAS
No
Molecular Formula
C16H11NO2
Molecular Weight
249.260000
Exact Mass
249.078979
InChI
InChI=1S/C16H11NO2/c18-15-13(11-7-3-1-4-8-11)14(16(19)17-15)12-9-5-2-6-10-12/h1-10H,(H,17,18,19)
InChIKey
WADCPEMKIBAJHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.85
TPSA
46.17

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.6
Consensus LogP
2.28
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

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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