CAS RN: 4648-59-3
(4-bromophenyl)dimethylphosphine oxide
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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: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 4648-59-3
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
>95% |
5
In Stock
|
Shenzhen |
Inquiry |
| 0.25g |
>95% |
5
In Stock
|
Beijing |
Inquiry |
| 1g |
>95% |
5
In Stock
|
Shenzhen |
Inquiry |
| 5g |
>95% |
5
In Stock
|
Shanghai |
Inquiry |
4648-59-3 / 1-bromo-4-dimethylphosphorylbenzene
Standard CAS: 4648-59-3
Multi CAS: No
Basic Information
CAS
4648-59-3
Multi CAS
No
Molecular Formula
C8H10BROP
Molecular Weight
233.040000
Exact Mass
231.965260
InChI
InChI=1S/C8H10BrOP/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
VVPOOPJRWPTMGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
53.23
TPSA
17.07
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
1.6
Consensus LogP
2.23
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.23
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