CAS RN: 766-96-1
1-Bromo-4-ethynylbenzene
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
- Product code: SSC-186039
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 100g, 25g, 500g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 500g | >97% | 1 In Stock | Hong Kong | Inquiry |
766-96-1 / 1-bromo-4-ethynylbenzene
Basic Information
CAS
766-96-1
Multi CAS
No
Molecular Formula
C8H5BR
Molecular Weight
181.030000
Exact Mass
179.957460
InChI
InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey
LTLVZQZDXQWLHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
42.08
TPSA
0.0000
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
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
