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CAS 829-20-9 2′,4′-Dimethoxyacetophenone molecular structure lightbox
CAS RN: 829-20-9

2′,4′-Dimethoxyacetophenone

  • Product code: SSC-190922
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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: 10g, 5g, 25g, 500g, 100g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • 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 829-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g -- 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
5g -- 3 In Stock Shenzhen Inquiry
25g -- 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry
500g -- 1 In Stock Hong Kong Inquiry
500g >97% 1 In Stock Hong Kong Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

829-20-9 / 1-(2,4-dimethoxyphenyl)ethanone

Standard CAS: 829-20-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
829-20-9
Multi CAS
No
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
InChI
InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3
InChIKey
VQTDPCRSXHFMOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.55
TPSA
35.53

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.47

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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