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CAS 22924-18-1 1-(2,4-DIETHOXY-PHENYL)-ETHANONE molecular structure lightbox
CAS RN: 22924-18-1

1-(2,4-DIETHOXY-PHENYL)-ETHANONE

  • Product code: SSC-111535
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22924-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
0.25g -- 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry

22924-18-1 / 1-(2,4-diethoxyphenyl)ethanone

Standard CAS: 22924-18-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22924-18-1
Multi CAS
No
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
SMILES
CCOC1=CC(=C(C=C1)C(=O)C)OCC
InChI
InChI=1S/C12H16O3/c1-4-14-10-6-7-11(9(3)13)12(8-10)15-5-2/h6-8H,4-5H2,1-3H3
InChIKey
HVMNBJVJMFQOOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
58.78
TPSA
35.53

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.08

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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