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CAS 53527-42-7 Luteolin-3′-D-glucuronide molecular structure lightbox
CAS RN: 53527-42-7

Luteolin-3′-D-glucuronide

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2 package records0 with current stock2 grade groups
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Batchno.20251021 5mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS53527-42-7
  • Purity/Analytical Methods: >99.0%
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53527-42-7 / (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Standard CAS: 53527-42-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53527-42-7
Multi CAS
Yes
Molecular Formula
C21H18O12
Molecular Weight
462.400000
Exact Mass
462.079826
InChI
InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChIKey
JDOFZOKGCYYUER-ZFORQUDYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
7
Molar refractivity
107.86
TPSA
207.35

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.1
XLogP3
0.8
Consensus LogP
0.18
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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)
-5.65

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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