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CAS 832-58-6 2′,4′,6′-TRIMETHOXYACETOPHENONE molecular structure lightbox
CAS RN: 832-58-6

2′,4′,6′-TRIMETHOXYACETOPHENONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260509 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS832-58-6
  • Purity/Analytical Methods: >99.0%
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832-58-6 / 1-(2,4,6-trimethoxyphenyl)ethanone

Standard CAS: 832-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
832-58-6
Multi CAS
No
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
InChI
InChI=1S/C11H14O4/c1-7(12)11-9(14-3)5-8(13-2)6-10(11)15-4/h5-6H,1-4H3
InChIKey
KPZWHZSIXZXDMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
56.1
TPSA
44.76

LogP / Solubility

WLOGP
1.91
MLOGP
1.69
XLogP3
1.5
Consensus LogP
1.7
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.64

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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