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CAS 25812-80-0 6,7-DIBROMOBENZO(1,4)DIOXAN molecular structure lightbox
CAS RN: 25812-80-0

6,7-DIBROMOBENZO(1,4)DIOXAN

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250812 1g In stock Inquiry
Batchno.20260504 250mg In stock Inquiry
Batchno.20260114 5g In stock Inquiry
  • Product code: SSC-122397
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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 25812-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

25812-80-0 / 6,7-dibromo-2,3-dihydro-1,4-benzodioxine

Standard CAS: 25812-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25812-80-0
Multi CAS
No
Molecular Formula
C8H6Br2O2
Molecular Weight
293.940000
Exact Mass
293.871410
SMILES
C1COC2=CC(=C(C=C2O1)Br)Br
InChI
InChI=1S/C8H6Br2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2
InChIKey
FTSJTAIEXFMURW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
52.83
TPSA
18.46

LogP / Solubility

WLOGP
2.98
MLOGP
2.64
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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