CAS RN: 164334-69-4
3-Bromo-4′-chloro-1,1′-biphenyl
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
- Product code: SSC-071761
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: 25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
164334-69-4 / 1-bromo-3-(4-chlorophenyl)benzene
Basic Information
CAS
164334-69-4
Multi CAS
No
Molecular Formula
C12H8BrCl
Molecular Weight
267.550000
Exact Mass
265.949790
SMILES
C1=CC(=CC(=C1)Br)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8BrCl/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H
InChIKey
HUHYFZSUBKNCJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
64.59
TPSA
0.0000
LogP / Solubility
WLOGP
4.77
MLOGP
4.21
XLogP3
5.3
Consensus LogP
4.76
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
