CAS RN: 50670-49-0
4-Bromo-4′-methylbiphenyl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 1g / 5g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-157275
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: 0.25g, 1g, 5g, 10g
- Available purity: ≥98%
- 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.
50670-49-0 / 1-bromo-4-(4-methylphenyl)benzene
Basic Information
CAS
50670-49-0
Multi CAS
No
Molecular Formula
C13H11BR
Molecular Weight
247.130000
Exact Mass
246.004410
InChI
InChI=1S/C13H11Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
InChIKey
MYWLXURJCXISCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
Molar refractivity
64.32
TPSA
0.0000
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
5.4
Consensus LogP
4.57
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-1.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
