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CAS 6743-96-0 isorhamnetin 7-O-beta-D-glucopyranoside molecular structure lightbox
CAS RN: 6743-96-0

isorhamnetin 7-O-beta-D-glucopyranoside

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2 package records0 with current stock1 grade group
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Batchno.20260214 1mg Out of stock Inquiry
Batchno.20260411 5mg Out of stock Inquiry
  • Product code: starshine_CAS6743-96-0
  • Purity/Analytical Methods: >99.0%
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6743-96-0 / 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 6743-96-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6743-96-0
Multi CAS
Yes
Molecular Formula
C22H22O12
Molecular Weight
478.400000
Exact Mass
478.111126
InChI
InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m1/s1
InChIKey
YCUNOXSUHVGZRI-XMHBHJPISA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
7
Molar refractivity
113.86
TPSA
199.51

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.17
XLogP3
0.7
Consensus LogP
0.1
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-5.81

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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