![CAS 428852-21-5 2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22557654.gif)
CAS RN: 428852-21-5
2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-propanoic acid
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.20260207 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS428852-21-5
- Purity/Analytical Methods: >99.0%
428852-21-5 / 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoic acid
Basic Information
CAS
428852-21-5
Multi CAS
No
Molecular Formula
C15H16O5
Molecular Weight
276.280000
Exact Mass
276.099774
InChI
InChI=1S/C15H16O5/c1-4-10-7-13(16)20-14-8(2)12(6-5-11(10)14)19-9(3)15(17)18/h5-7,9H,4H2,1-3H3,(H,17,18)
InChIKey
GKIDOGLXPUDROJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.32
TPSA
76.74
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-2.62
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
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