CAS RN: 885044-12-2
Farrerol 7-O-glucoside
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS885044-12-2
- Purity/Analytical Methods: >99.0%
885044-12-2 / 5-hydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Basic Information
CAS
885044-12-2
Multi CAS
Yes
Molecular Formula
C23H26O10
Molecular Weight
462.400000
Exact Mass
462.152597
InChI
InChI=1S/C23H26O10/c1-9-17(27)16-13(26)7-14(11-3-5-12(25)6-4-11)31-22(16)10(2)21(9)33-23-20(30)19(29)18(28)15(8-24)32-23/h3-6,14-15,18-20,23-25,27-30H,7-8H2,1-2H3
InChIKey
WBNRHHBGMFXQKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
6
Molar refractivity
112.4
TPSA
166.14
LogP / Solubility
WLOGP
0.6
MLOGP
0.56
XLogP3
1.3
Consensus LogP
0.82
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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