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CAS 351346-10-6 (7R,8R)-Dihydrodehydrodiconiferyl alcohol 9-O-β-D-glucoside molecular structure lightbox
CAS RN: 351346-10-6

(7R,8R)-Dihydrodehydrodiconiferyl alcohol 9-O-β-D-glucoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS351346-10-6
  • Purity/Analytical Methods: >99.0%
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351346-10-6 / (2R,3R,4S,5S,6R)-2-[[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 351346-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
351346-10-6
Multi CAS
No
Molecular Formula
C26H34O11
Molecular Weight
522.500000
Exact Mass
522.210112
InChI
InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24-,26+/m0/s1
InChIKey
VTKHRLZMWODHJA-QMYUBYRNSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
6
Molar refractivity
128.89
TPSA
167.53

LogP / Solubility

WLOGP
0.37
MLOGP
0.36
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
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)
-5.65

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

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