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CAS 67019-91-4 3,7-dibroModibenzo[b,d]furan molecular structure lightbox
CAS RN: 67019-91-4

3,7-dibroModibenzo[b,d]furan

  • Product code: SSC-176682
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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 67019-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

67019-91-4 / 3,7-dibromodibenzofuran

Standard CAS: 67019-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67019-91-4
Multi CAS
No
Molecular Formula
C12H6BR2O
Molecular Weight
325.980000
Exact Mass
325.876490
InChI
InChI=1S/C12H6Br2O/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6H
InChIKey
GBCYJXFJGQKMPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
69.12
TPSA
13.14

LogP / Solubility

WLOGP
5.11
MLOGP
4.51
XLogP3
5
Consensus LogP
4.87
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

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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