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CAS 28978-03-2 Persicoside molecular structure lightbox
CAS RN: 28978-03-2

Persicoside

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Batchno.20260312 5mg Out of stock Inquiry
  • Product code: starshine_CAS28978-03-2
  • Purity/Analytical Methods: >99.0%
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28978-03-2 / 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Standard CAS: 28978-03-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28978-03-2
Multi CAS
Yes
Molecular Formula
C23H26O11
Molecular Weight
478.400000
Exact Mass
478.147512
InChI
InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3
InChIKey
NKYUUWHIEOUGKB-UHFFFAOYSA-N

Physical Properties

Melting Point
258 - 260 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
5
Molar refractivity
114.36
TPSA
164.37

LogP / Solubility

WLOGP
0.29
MLOGP
0.29
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-5.43

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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