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CAS 30273-62-2 3,4,5-Trimethoxycinnamyl alcohol molecular structure lightbox
CAS RN: 30273-62-2

3,4,5-Trimethoxycinnamyl alcohol

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2 package records0 with current stock2 grade groups
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  • Product code: starshine_CAS30273-62-2
  • Purity/Analytical Methods: >99.0%
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30273-62-2 / 3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol

Standard CAS: 30273-62-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30273-62-2
Multi CAS
Yes
Molecular Formula
C12H16O4
Molecular Weight
224.250000
Exact Mass
224.104859
InChI
InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3
InChIKey
HZDDMDAKGIRCPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.22
TPSA
47.92

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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