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CAS 29741-10-4 luteolin-7-glucuronide molecular structure lightbox
CAS RN: 29741-10-4

luteolin-7-glucuronide

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260305 100mg In stock Shanghai Inquiry
Batchno.20251026 10mg In stock Shanghai Inquiry
Batchno.20251015 25mg In stock Shanghai Inquiry
Batchno.20250509 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS29741-10-4
  • Purity/Analytical Methods: >99.0%
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29741-10-4 / (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Standard CAS: 29741-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29741-10-4
Multi CAS
Yes
Molecular Formula
C21H18O12
Molecular Weight
462.400000
Exact Mass
462.079826
InChI
InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(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
VSUOKLTVXQRUSG-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
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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