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CAS 4510-78-5 5-broMo-2-iodo-biphenyl molecular structure lightbox
CAS RN: 4510-78-5

5-broMo-2-iodo-biphenyl

  • Product code: SSC-152941
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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 4510-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

4510-78-5 / 4-bromo-1-iodo-2-phenylbenzene

Standard CAS: 4510-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4510-78-5
Multi CAS
No
Molecular Formula
C12H8BRI
Molecular Weight
359.000000
Exact Mass
357.885410
InChI
InChI=1S/C12H8BrI/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
AMDHQOSYJQBOEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
72.3
TPSA
0.0000

LogP / Solubility

WLOGP
4.72
MLOGP
4.17
XLogP3
4.9
Consensus LogP
4.6
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

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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