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CAS 94356-24-8 Rhaponticin 2”-O-gallate molecular structure lightbox
CAS RN: 94356-24-8

Rhaponticin 2”-O-gallate

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 5mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251012 1mg Out of stock Inquiry
Batchno.20260513 25mg Out of stock Inquiry
Batchno.20260623 5mg Out of stock Inquiry
  • Product code: starshine_CAS94356-24-8
  • Purity/Analytical Methods: >99.0%
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94356-24-8 / [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

Standard CAS: 94356-24-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94356-24-8
Multi CAS
Yes
Molecular Formula
C28H28O13
Molecular Weight
572.500000
Exact Mass
572.152991
InChI
InChI=1S/C28H28O13/c1-38-21-5-4-13(8-18(21)31)2-3-14-6-16(30)11-17(7-14)39-28-26(25(36)24(35)22(12-29)40-28)41-27(37)15-9-19(32)23(34)20(33)10-15/h2-11,22,24-26,28-36H,12H2,1H3/b3-2+/t22-,24-,25+,26-,28-/m1/s1
InChIKey
DBHYLGJAFYCFGS-XJVIDBJFSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
13
H-bond donors
8
Molar refractivity
140.72
TPSA
215.83

LogP / Solubility

WLOGP
1.44
MLOGP
1.31
XLogP3
2.5
Consensus LogP
1.75
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly 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)
-5.19

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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