CAS RN: 1733-57-9
DIPHENYLETHYLPHOSPHINE OXIDE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250209 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250407 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20260205 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250323 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS1733-57-9
- Purity/Analytical Methods: >99.0%
1733-57-9 / [ethyl(phenyl)phosphoryl]benzene
Basic Information
CAS
1733-57-9
Multi CAS
No
Molecular Formula
C14H15OP
Molecular Weight
230.240000
Exact Mass
230.086052
SMILES
CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
AKTGKEBIBGSCLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
70.3
TPSA
17.07
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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