CAS RN: 942609-65-6
1,5,15-Tri-O-MethylMorindol
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS942609-65-6
- Purity/Analytical Methods: >99.0%
942609-65-6 / 2-hydroxy-1,5-dimethoxy-6-(methoxymethyl)anthracene-9,10-dione
Basic Information
CAS
942609-65-6
Multi CAS
No
Molecular Formula
C18H16O6
Molecular Weight
328.300000
Exact Mass
328.094688
InChI
InChI=1S/C18H16O6/c1-22-8-9-4-5-10-13(17(9)23-2)15(20)11-6-7-12(19)18(24-3)14(11)16(10)21/h4-7,19H,8H2,1-3H3
InChIKey
HEVJQUHAJKODII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
85.23
TPSA
82.06
LogP / Solubility
WLOGP
2.33
MLOGP
2.07
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
“5-Hydroxy-7,8,2′,5′-tetraMethoxyflavone 5-O-glucoside”
- CAS RN: 942626-75-7
- Product Code: starshine_CAS942626-75-7
- Purity/Analytical method: >99.0%
-
-
-
-
