CAS RN: 53744-27-7
2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-phenyl-, (2E)-
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.20250506 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53744-27-7
- Purity/Analytical Methods: >99.0%
53744-27-7 / 3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one
Basic Information
CAS
53744-27-7
Multi CAS
Yes
Molecular Formula
C17H16O3
Molecular Weight
268.310000
Exact Mass
268.109944
InChI
InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
InChIKey
LSHZPTCZLWATBZ-CSKARUKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
79.35
TPSA
35.53
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
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)
-1.8
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
1.5
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