CAS RN: 61828-53-3
2-(2-phenylethyl)chromone
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS61828-53-3
- Purity/Analytical Methods: >99.0%
61828-53-3 / 2-(2-phenylethyl)chromen-4-one
Basic Information
CAS
61828-53-3
Multi CAS
Yes
Molecular Formula
C17H14O2
Molecular Weight
250.290000
Exact Mass
250.099380
InChI
InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2
InChIKey
VNZNWFQJBFLELF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
76.33
TPSA
30.21
LogP / Solubility
WLOGP
3.58
MLOGP
3.15
XLogP3
4.2
Consensus LogP
3.64
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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