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CAS 6758-51-6 Isorhamnetin 3,7-O-diglucoside molecular structure lightbox
CAS RN: 6758-51-6

Isorhamnetin 3,7-O-diglucoside

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 10mg Out of stock Inquiry
Batchno.20260509 1mg Out of stock Inquiry
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Batchno.20250812 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS6758-51-6
  • Purity/Analytical Methods: >99.0%
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6758-51-6 / 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one

Standard CAS: 6758-51-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6758-51-6
Multi CAS
Yes
Molecular Formula
C28H32O17
Molecular Weight
640.500000
Exact Mass
640.163950
InChI
InChI=1S/C28H32O17/c1-40-13-4-9(2-3-11(13)31)25-26(45-28-24(39)22(37)19(34)16(8-30)44-28)20(35)17-12(32)5-10(6-14(17)42-25)41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
InChIKey
ZYYJHXKSQKLEBL-QDYVESOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
10
Molar refractivity
146.59
TPSA
278.66

LogP / Solubility

WLOGP
-2.76
MLOGP
-2.38
XLogP3
-1.1
Consensus LogP
-2.08
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-8.59

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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