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CAS 40918-90-9 34DIMETHOXYCINNAMYLALCOHOL molecular structure lightbox
CAS RN: 40918-90-9

34DIMETHOXYCINNAMYLALCOHOL

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Batchno.20260512 5mg Out of stock Inquiry
  • Product code: starshine_CAS40918-90-9
  • Purity/Analytical Methods: >99.0%
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40918-90-9 / 3-(3,4-dimethoxyphenyl)prop-2-en-1-ol

Standard CAS: 40918-90-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40918-90-9
Multi CAS
Yes
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
InChI
InChI=1S/C11H14O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8,12H,7H2,1-2H3
InChIKey
OYICGYUCCHVYRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.67
TPSA
38.69

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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