CAS RN: 89019-85-2
7-Hydroxy-3-(3-hydroxyphenyl)-4H-1-benzopyran-4-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.20250719 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS89019-85-2
- Purity/Analytical Methods: >99.0%
89019-85-2 / 7-hydroxy-3-(3-hydroxyphenyl)chromen-4-one
Basic Information
CAS
89019-85-2
Multi CAS
No
Molecular Formula
C15H10O4
Molecular Weight
254.240000
Exact Mass
254.057909
InChI
InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)13-8-19-14-7-11(17)4-5-12(14)15(13)18/h1-8,16-17H
InChIKey
RDYQZFNYNCDTFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.25
TPSA
70.67
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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