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CAS 81-86-7 4-Bromo-1,8-naphthalic Anhydride molecular structure lightbox
CAS RN: 81-86-7

4-Bromo-1,8-naphthalic Anhydride

  • Product code: SSC-189605
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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: 500g
  • 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 81-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g >95% 0 Out of Stock Beijing Inquiry

81-86-7 / 8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

Standard CAS: 81-86-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81-86-7
Multi CAS
Yes
Molecular Formula
C12H5BRO3
Molecular Weight
277.070000
Exact Mass
275.942210
InChI
InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H
InChIKey
DTUOTSLAFJCQHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
61.39
TPSA
43.37

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
3.2
Consensus LogP
2.89
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

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