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CAS 174518-82-2 1-Bromo-4-iodo-2,5-dimethoxybenzene molecular structure lightbox
CAS RN: 174518-82-2

1-Bromo-4-iodo-2,5-dimethoxybenzene

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 10g In stock Shanghai Inquiry
Batchno.20250430 1g In stock Shanghai Inquiry
Batchno.20251230 250mg In stock Shanghai Inquiry
Batchno.20250122 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250922 25g In stock Shanghai Inquiry
Batchno.20250103 5g In stock Shanghai Inquiry
  • Product code: SSC-076556
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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 174518-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

174518-82-2 / 1-bromo-4-iodo-2,5-dimethoxybenzene

Standard CAS: 174518-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174518-82-2
Multi CAS
No
Molecular Formula
C8H8BrIO2
Molecular Weight
342.960000
Exact Mass
341.875240
SMILES
COC1=CC(=C(C=C1I)OC)Br
InChI
InChI=1S/C8H8BrIO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,1-2H3
InChIKey
HNPIBZGULNUJST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.96
TPSA
18.46

LogP / Solubility

WLOGP
3.07
MLOGP
2.72
XLogP3
3.5
Consensus LogP
3.1
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-2.63

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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