CAS RN: 4225-92-7
AKOS BBS-00003969
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-150583
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: 10g, 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 10g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
4225-92-7 / 2-bromo-1-(2,4,6-trimethylphenyl)ethanone
Basic Information
CAS
4225-92-7
Multi CAS
Yes
Molecular Formula
C11H13BRO
Molecular Weight
241.120000
Exact Mass
240.014980
InChI
InChI=1S/C11H13BrO/c1-7-4-8(2)11(9(3)5-7)10(13)6-12/h4-5H,6H2,1-3H3
InChIKey
HRAZXKYOYNRVMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
58.78
TPSA
17.07
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.5
Consensus LogP
3.17
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
