![CAS 51930-25-7 2-phenyl-1-[4-[4-(2-phenylacetyl)phenoxy]phenyl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51930-25-7.gif)
CAS RN: 51930-25-7
2-phenyl-1-[4-[4-(2-phenylacetyl)phenoxy]phenyl]ethanone
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51930-25-7
- Purity/Analytical Methods: >99.0%
51930-25-7 / 2-phenyl-1-[4-[4-(2-phenylacetyl)phenoxy]phenyl]ethanone
Basic Information
CAS
51930-25-7
Multi CAS
No
Molecular Formula
C28H22O3
Molecular Weight
406.500000
Exact Mass
406.156895
InChI
InChI=1S/C28H22O3/c29-27(19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)31-26-17-13-24(14-18-26)28(30)20-22-9-5-2-6-10-22/h1-18H,19-20H2
InChIKey
PPXFJRGFGMRFLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
121.91
TPSA
43.37
LogP / Solubility
WLOGP
6.33
MLOGP
5.59
XLogP3
6
Consensus LogP
5.97
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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