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CAS 68089-73-6 9H-tribenzo[a,c,e][7]annulen-9-one molecular structure lightbox
CAS RN: 68089-73-6

9H-tribenzo[a,c,e][7]annulen-9-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-177792
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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: ＞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 68089-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

68089-73-6 / tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-one

Standard CAS: 68089-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68089-73-6
Multi CAS
No
Molecular Formula
C19H12O
Molecular Weight
256.300000
Exact Mass
256.088815
InChI
InChI=1S/C19H12O/c20-19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)19/h1-12H
InChIKey
XJROVMTUTAVKMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
19
H-bond acceptors
1
Molar refractivity
85.23
TPSA
17.07

LogP / Solubility

WLOGP
4.51
MLOGP
3.97
XLogP3
5.2
Consensus LogP
4.56
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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