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CAS 21702-84-1 2,4-Dibromoanisole molecular structure lightbox
CAS RN: 21702-84-1

2,4-Dibromoanisole

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100g In stock Inquiry
Batchno.20251003 2.5kg In stock Inquiry
Batchno.20250211 25g In stock Inquiry
Batchno.20260307 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-104471
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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: 100g
  • 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 21702-84-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

21702-84-1 / 2,4-dibromo-1-methoxybenzene

Standard CAS: 21702-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21702-84-1
Multi CAS
No
Molecular Formula
C7H6Br2O
Molecular Weight
265.930000
Exact Mass
265.876490
SMILES
COC1=C(C=C(C=C1)Br)Br
InChI
InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
XGXUGXPKRBQINS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.39
TPSA
9.23

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
3.6
Consensus LogP
3.22
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
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)
-2.06

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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