CAS RN: 120028-43-5
edgeworin
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.20250601 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS120028-43-5
- Purity/Analytical Methods: >99.0%
120028-43-5 / 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
EDGEWORIN | 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one | RefChem:136288
Basic Information
CAS
120028-43-5
Multi CAS
Yes
Molecular Formula
C18H10O6
Molecular Weight
322.300000
Exact Mass
322.047738
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OC3=CC4=C(C=C(C=C4)O)OC3=O
InChI
InChI=1S/C18H10O6/c19-12-4-1-11-7-16(18(21)24-14(11)8-12)22-13-5-2-10-3-6-17(20)23-15(10)9-13/h1-9,19H
InChIKey
WNLKKLCKMRDNHF-UHFFFAOYSA-N
Synonyms
EDGEWORIN
7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
RefChem:136288
CHEMBL259025
7-Hydroxy-3-((2-oxo-2H-chromen-7-yl)oxy)-2H-chromen-2-one
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.71
TPSA
89.88
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
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
3
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