CAS RN: 852385-13-8
6-Methyl-7-O-MethylaroMadendrin
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.20250208 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS852385-13-8
- Purity/Analytical Methods: >99.0%
852385-13-8 / (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-methyl-2,3-dihydrochromen-4-one
Basic Information
CAS
852385-13-8
Multi CAS
Yes
Molecular Formula
C17H16O6
Molecular Weight
316.300000
Exact Mass
316.094688
InChI
InChI=1S/C17H16O6/c1-8-11(22-2)7-12-13(14(8)19)15(20)16(21)17(23-12)9-3-5-10(18)6-4-9/h3-7,16-19,21H,1-2H3/t16-,17+/m0/s1
InChIKey
MGHMBAZWBKOORJ-DLBZAZTESA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
81.21
TPSA
96.22
LogP / Solubility
WLOGP
2.09
MLOGP
1.86
XLogP3
2.5
Consensus LogP
2.15
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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