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CAS 59820-92-7 6-BROMO-7-NITRO-2,3-DIHYDRO-1,4-BENZODIOXINE molecular structure lightbox
CAS RN: 59820-92-7

6-BROMO-7-NITRO-2,3-DIHYDRO-1,4-BENZODIOXINE

  • Product code: SSC-168394
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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: 5g
  • 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 59820-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

59820-92-7 / 6-bromo-7-nitro-2,3-dihydro-1,4-benzodioxine

Standard CAS: 59820-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59820-92-7
Multi CAS
No
Molecular Formula
BC8H6O4Rn
Molecular Weight
260.040000
Exact Mass
258.948020
InChI
InChI=1S/C8H6BrNO4/c9-5-3-7-8(14-2-1-13-7)4-6(5)10(11)12/h3-4H,1-2H2
InChIKey
PBFAMONJVJBDQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.79
TPSA
61.6

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.8

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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