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CAS 73356-94-2 1-azatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-triene-9,12-dione molecular structure lightbox
CAS RN: 73356-94-2

1-azatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-triene-9,12-dione

  • Product code: SSC-182821
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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 73356-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

73356-94-2 / 1-azatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-9,12-dione

Standard CAS: 73356-94-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73356-94-2
Multi CAS
Yes
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
InChI
InChI=1S/C12H11NO2/c14-10-4-5-11(15)13-7-6-8-2-1-3-9(10)12(8)13/h1-3H,4-7H2
InChIKey
HUZRDLIPCFTNIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
56.06
TPSA
37.38

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
0.7
Consensus LogP
1.21
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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