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CAS 5471-63-6 1,3-Diphenylisobenzofuran molecular structure lightbox
CAS RN: 5471-63-6

1,3-Diphenylisobenzofuran

  • Product code: SSC-162543
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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: 10g
  • 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 5471-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

5471-63-6 / 1,3-diphenyl-2-benzofuran

Standard CAS: 5471-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5471-63-6
Multi CAS
Yes
Molecular Formula
C20H14O
Molecular Weight
270.300000
Exact Mass
270.104465
InChI
InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
InChIKey
ZKSVYBRJSMBDMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
87.09
TPSA
13.14

LogP / Solubility

WLOGP
5.77
MLOGP
5.08
XLogP3
5.6
Consensus LogP
5.48
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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