CAS RN: 52780-14-0
3-BROMO-ALPHA-METHYLBENZYL ALCOHOL
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-159911
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, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 8
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
52780-14-0 / 1-(3-bromophenyl)ethanol
Basic Information
CAS
52780-14-0
Multi CAS
Yes
Molecular Formula
C8H9BRO
Molecular Weight
201.060000
Exact Mass
199.983680
InChI
InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
InChIKey
ULMJQMDYAOJNCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.78
TPSA
20.23
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.27
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
