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CAS 73566-30-0 6”-O-ACETYLGENISTIN molecular structure lightbox
CAS RN: 73566-30-0

6”-O-ACETYLGENISTIN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS73566-30-0
  • Purity/Analytical Methods: >99.0%
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73566-30-0 / [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

Standard CAS: 73566-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73566-30-0
Multi CAS
Yes
Molecular Formula
C23H22O11
Molecular Weight
474.400000
Exact Mass
474.116212
InChI
InChI=1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3/t17-,20-,21+,22-,23-/m1/s1
InChIKey
DXWGBJJLEDQBKS-LDBVRRDLSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
5
Molar refractivity
115.19
TPSA
176.12

LogP / Solubility

WLOGP
0.62
MLOGP
0.58
XLogP3
0.9
Consensus LogP
0.7
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-5.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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