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CAS 5695-13-6 Indenofluorenedione molecular structure lightbox
CAS RN: 5695-13-6

Indenofluorenedione

  • Product code: SSC-164983
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 5695-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

5695-13-6 / indeno[1,2-b]fluorene-6,12-dione

Standard CAS: 5695-13-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5695-13-6
Multi CAS
Yes
Molecular Formula
C20H10O2
Molecular Weight
282.300000
Exact Mass
282.068080
InChI
InChI=1S/C20H10O2/c21-19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22/h1-10H
InChIKey
AAUHGKXJBZEARK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
20
H-bond acceptors
2
Molar refractivity
91.38
TPSA
34.14

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
4.7
Consensus LogP
4.01
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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