CAS RN: 59447-12-0
3-OXO-3-(4-PHENOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251107 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59447-12-0
- Purity/Analytical Methods: >99.0%
59447-12-0 / ethyl 3-oxo-3-(4-phenoxyphenyl)propanoate
Basic Information
CAS
59447-12-0
Multi CAS
No
Molecular Formula
C17H16O4
Molecular Weight
284.310000
Exact Mass
284.104859
InChI
InChI=1S/C17H16O4/c1-2-20-17(19)12-16(18)13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKey
CAXNCSRMNJVMKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
78.54
TPSA
52.6
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
3.4
Consensus LogP
3.4
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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