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CAS 72659-75-7 6”-Acetylhyperin molecular structure lightbox
CAS RN: 72659-75-7

6”-Acetylhyperin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 5mg / 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS72659-75-7
  • Purity/Analytical Methods: >99.0%
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72659-75-7 / [(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Standard CAS: 72659-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72659-75-7
Multi CAS
No
Molecular Formula
C23H22O13
Molecular Weight
506.400000
Exact Mass
506.106041
InChI
InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23+/m1/s1
InChIKey
IGLUNMMNDNWZOA-QZGPLKIZSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
13
H-bond donors
7
Molar refractivity
118.52
TPSA
216.58

LogP / Solubility

WLOGP
0.03
MLOGP
0.06
XLogP3
0.4
Consensus LogP
0.16
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-5.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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