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CAS 5234-70-8 Tetrahydrodehydrodiconiferyl alcohol molecular structure lightbox
CAS RN: 5234-70-8

Tetrahydrodehydrodiconiferyl alcohol

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3 package records0 with current stock2 grade groups
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Batchno.20251015 1mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS5234-70-8
  • Purity/Analytical Methods: >99.0%
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5234-70-8 / 2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxypropyl)-6-methoxyphenol

Standard CAS: 5234-70-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5234-70-8
Multi CAS
Yes
Molecular Formula
C20H26O6
Molecular Weight
362.400000
Exact Mass
362.172939
InChI
InChI=1S/C20H26O6/c1-25-18-10-14(5-6-17(18)23)8-15(12-22)16-9-13(4-3-7-21)11-19(26-2)20(16)24/h5-6,9-11,15,21-24H,3-4,7-8,12H2,1-2H3
InChIKey
QTGXBVBJDIWUBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
98.26
TPSA
99.38

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.28
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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