CAS RN: 53382-71-1
Isovitexin 2”-O-arabinoside
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS53382-71-1
- Purity/Analytical Methods: >99.0%
53382-71-1 / 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Basic Information
CAS
53382-71-1
Multi CAS
Yes
Molecular Formula
C26H28O14
Molecular Weight
564.500000
Exact Mass
564.147906
InChI
InChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16+,19-,20+,22-,23+,24-,25+,26-/m0/s1
InChIKey
ACRIYYKEWCXQOS-XAYOXWHSSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
14
H-bond donors
9
Molar refractivity
132.26
TPSA
239.97
LogP / Solubility
WLOGP
-1.45
MLOGP
-1.23
XLogP3
-1.3
Consensus LogP
-1.32
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-7.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
![CAS 53389-10-9 Spiro[2.2]pentane-1-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53389-10-9.gif)
