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CAS 704909-84-2 1,3-Dibromo-5-iodo-2-methylbenzene molecular structure lightbox
CAS RN: 704909-84-2

1,3-Dibromo-5-iodo-2-methylbenzene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 1g In stock Shanghai Inquiry
Batchno.20250505 250mg In stock Shanghai Inquiry
Batchno.20250810 5g In stock Shanghai Inquiry
  • Product code: SSC-180258
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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 704909-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

704909-84-2 / 1,3-dibromo-5-iodo-2-methylbenzene

Standard CAS: 704909-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
704909-84-2
Multi CAS
No
Molecular Formula
C7H5BR2I
Molecular Weight
375.830000
Exact Mass
375.778220
InChI
InChI=1S/C7H5Br2I/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,1H3
InChIKey
KPJDQGNISKKJTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
59.3
TPSA
0.0000

LogP / Solubility

WLOGP
4.12
MLOGP
3.65
XLogP3
4.3
Consensus LogP
4.02
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

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

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