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CAS 5353-15-1 BENZENE,1,2,4-TRIMETHOXY-5-(2-PROPENYL)- molecular structure lightbox
CAS RN: 5353-15-1

BENZENE,1,2,4-TRIMETHOXY-5-(2-PROPENYL)-

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260402 10mg In stock Shanghai Inquiry
Batchno.20260212 5mg Out of stock 5-7 business days Inquiry
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Batchno.20250523 1mg In stock Inquiry
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  • Product code: starshine_CAS5353-15-1
  • Purity/Analytical Methods: >99.0%
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5353-15-1 / 1,2,4-trimethoxy-5-prop-2-enylbenzene

Standard CAS: 5353-15-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5353-15-1
Multi CAS
No
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3
InChIKey
AUNAUZZQBAIQFJ-UHFFFAOYSA-N

Physical Properties

Melting Point
25 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
60
TPSA
27.69

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
3.1
Consensus LogP
2.56
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.26

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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