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CAS 74683-19-5 3-Methoxy-4,5-methylenedioxycinnamaldehyde molecular structure lightbox
CAS RN: 74683-19-5

3-Methoxy-4,5-methylenedioxycinnamaldehyde

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Batchno.20250414 1mg Out of stock Inquiry
  • Product code: starshine_CAS74683-19-5
  • Purity/Analytical Methods: >99.0%
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74683-19-5 / (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enal

Standard CAS: 74683-19-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
74683-19-5
Multi CAS
Yes
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
InChI
InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+
InChIKey
IQMBSQBMNIILBR-NSCUHMNNSA-N

Physical Properties

Melting Point
136 - 137 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
54.22
TPSA
44.76

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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