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CAS 19513-80-5 2-(2-Methoxyphenoxy)-1-(4-methoxyphenyl)ethanone molecular structure lightbox
CAS RN: 19513-80-5

2-(2-Methoxyphenoxy)-1-(4-methoxyphenyl)ethanone

  • Product code: SSC-092000
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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: 0.25g, 1g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 19513-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

19513-80-5 / 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone

Standard CAS: 19513-80-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19513-80-5
Multi CAS
No
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
SMILES
COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2OC
InChI
InChI=1S/C16H16O4/c1-18-13-9-7-12(8-10-13)14(17)11-20-16-6-4-3-5-15(16)19-2/h3-10H,11H2,1-2H3
InChIKey
XZENRLBGEKSCQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
75.81
TPSA
44.76

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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