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CAS 2252237-87-7 Dibenzofuran, 1-bromo-4-chloro- molecular structure lightbox
CAS RN: 2252237-87-7

Dibenzofuran, 1-bromo-4-chloro-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-110111
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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: ＞97%
  • 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 2252237-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

2252237-87-7 / 1-bromo-4-chlorodibenzofuran

Standard CAS: 2252237-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2252237-87-7
Multi CAS
No
Molecular Formula
C12H6BrClO
Molecular Weight
281.530000
Exact Mass
279.929060
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3O2)Cl)Br
InChI
InChI=1S/C12H6BrClO/c13-8-5-6-9(14)12-11(8)7-3-1-2-4-10(7)15-12/h1-6H
InChIKey
SHZRNNKKHUDHNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
66.43
TPSA
13.14

LogP / Solubility

WLOGP
5
MLOGP
4.41
XLogP3
5
Consensus LogP
4.8
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

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

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