CAS RN: 5219-16-9
7-hydroxy-3-(4-methoxyphenyl)-4-methyl-chromen-2-one
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.20250323 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5219-16-9
- Purity/Analytical Methods: >99.0%
5219-16-9 / 7-hydroxy-3-(4-methoxyphenyl)-4-methylchromen-2-one
Basic Information
CAS
5219-16-9
Multi CAS
No
Molecular Formula
C17H14O4
Molecular Weight
282.290000
Exact Mass
282.089209
InChI
InChI=1S/C17H14O4/c1-10-14-8-5-12(18)9-15(14)21-17(19)16(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3
InChIKey
MJQHCKOMFMGCQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.87
TPSA
59.67
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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