CAS RN: 61854-36-2
DeMethoxycapillarisin
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.20260105 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS61854-36-2
- Purity/Analytical Methods: >99.0%
61854-36-2 / 5,7-dihydroxy-2-(4-hydroxyphenoxy)chromen-4-one
Basic Information
CAS
61854-36-2
Multi CAS
No
Molecular Formula
C15H10O6
Molecular Weight
286.240000
Exact Mass
286.047738
InChI
InChI=1S/C15H10O6/c16-8-1-3-10(4-2-8)20-14-7-12(19)15-11(18)5-9(17)6-13(15)21-14/h1-7,16-18H
InChIKey
UBSCDKPKWHYZNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
73.99
TPSA
100.13
LogP / Solubility
WLOGP
2.7
MLOGP
2.39
XLogP3
1.8
Consensus LogP
2.3
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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