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CAS 74696-01-8 APIGENIN-7-DIGLUCURONIDE molecular structure lightbox
CAS RN: 74696-01-8

APIGENIN-7-DIGLUCURONIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS74696-01-8
  • Purity/Analytical Methods: >99.0%
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74696-01-8 / 6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Standard CAS: 74696-01-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74696-01-8
Multi CAS
Yes
Molecular Formula
C27H26O17
Molecular Weight
622.500000
Exact Mass
622.116999
InChI
InChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)
InChIKey
SJFTVAAHLRFBST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
16
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
15
H-bond donors
9
Molar refractivity
139.38
TPSA
283.34

LogP / Solubility

WLOGP
-1.94
MLOGP
-1.66
XLogP3
-0.2
Consensus LogP
-1.27
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
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)
-7.9

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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