CAS RN: 74805-90-6
Methylophiopogonone A
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.20250226 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS74805-90-6
- Purity/Analytical Methods: >99.0%
74805-90-6 / 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethylchromen-4-one
Basic Information
CAS
74805-90-6
Multi CAS
Yes
Molecular Formula
C19H16O6
Molecular Weight
340.300000
Exact Mass
340.094688
InChI
InChI=1S/C19H16O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6-7,20-21H,5,8H2,1-2H3
InChIKey
AUTZLTCWRDPAPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
90.66
TPSA
89.13
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
3.9
Consensus LogP
3.27
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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