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CAS 72736-56-2 4-BroMo-6-chlorobenzo[d][1,3]dioxole molecular structure lightbox
CAS RN: 72736-56-2

4-BroMo-6-chlorobenzo[d][1,3]dioxole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-182208
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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 72736-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

72736-56-2 / 4-bromo-6-chloro-1,3-benzodioxole

Standard CAS: 72736-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72736-56-2
Multi CAS
No
Molecular Formula
C7H4BRCLO2
Molecular Weight
235.460000
Exact Mass
233.908320
InChI
InChI=1S/C7H4BrClO2/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-2H,3H2
InChIKey
AFOTZMBXHQXIAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
45.28
TPSA
18.46

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
3.1
Consensus LogP
2.81
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.15

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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