CAS RN: 56252-02-9
Hydroxyanigorufone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260616 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS56252-02-9
- Purity/Analytical Methods: >99.0%
56252-02-9 / 2-hydroxy-9-(4-hydroxyphenyl)phenalen-1-one
Basic Information
CAS
56252-02-9
Multi CAS
No
Molecular Formula
C19H12O3
Molecular Weight
288.300000
Exact Mass
288.078644
InChI
InChI=1S/C19H12O3/c20-14-7-4-11(5-8-14)15-9-6-12-2-1-3-13-10-16(21)19(22)18(15)17(12)13/h1-10,20-21H
InChIKey
HTELDEYOMOTOBI-UHFFFAOYSA-N
Physical Properties
Melting Point
238 - 242 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.99
TPSA
57.53
LogP / Solubility
WLOGP
4.31
MLOGP
3.8
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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