CAS RN: 187275-73-6
3-Bromo-4′-iodo-1,1′-biphenyl
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-087047
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
187275-73-6 / 1-bromo-3-(4-iodophenyl)benzene
Basic Information
CAS
187275-73-6
Multi CAS
No
Molecular Formula
C12H8BrI
Molecular Weight
359.000000
Exact Mass
357.885410
SMILES
C1=CC(=CC(=C1)Br)C2=CC=C(C=C2)I
InChI
InChI=1S/C12H8BrI/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H
InChIKey
HPCKEAXEWARUIH-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
