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CAS 466639-53-2 3-Bromo-4-iodoanisole molecular structure lightbox
CAS RN: 466639-53-2

3-Bromo-4-iodoanisole

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251207 10g In stock Tianjin, Chengdu Inquiry
Batchno.20260528 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251227 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251102 25g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250807 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-153934
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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, 5g, 10g, 25g
  • 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 466639-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

466639-53-2 / 2-bromo-4-iodo-1-methoxybenzene

Standard CAS: 466639-53-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
466639-53-2
Multi CAS
Yes
Molecular Formula
C7H6BRIO
Molecular Weight
312.930000
Exact Mass
311.864670
InChI
InChI=1S/C7H6BrIO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKey
YIQMMXVWWSWNGR-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
53.41
TPSA
9.23

LogP / Solubility

WLOGP
3.06
MLOGP
2.71
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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