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CAS 716-39-2 2,3-Naphthalenedicarboxylic Anhydride molecular structure lightbox
CAS RN: 716-39-2

2,3-Naphthalenedicarboxylic Anhydride

  • Product code: SSC-181168
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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: 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 716-39-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

716-39-2 / benzo[f][2]benzofuran-1,3-dione

Standard CAS: 716-39-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
716-39-2
Multi CAS
Yes
Molecular Formula
C12H6O3
Molecular Weight
198.170000
Exact Mass
198.031694
InChI
InChI=1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H
InChIKey
IZJDCINIYIMFGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
53.69
TPSA
43.37

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.5
Consensus LogP
2.18
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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