CAS RN: 58358-52-4
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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.20250722 | 5g / 25g / 100g / 500g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-166600
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 | Beijing | Inquiry |
58358-52-4 / 1-bromo-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
Basic Information
CAS
58358-52-4
Multi CAS
Yes
Molecular Formula
C15H13BR
Molecular Weight
273.170000
Exact Mass
272.020060
InChI
InChI=1S/C15H13Br/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-11H,1H3/b7-6+
InChIKey
CTMYIJULQXZVJH-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
Molar refractivity
74.25
TPSA
0.0000
LogP / Solubility
WLOGP
4.93
MLOGP
4.35
XLogP3
5.2
Consensus LogP
4.83
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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