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CAS 53327-14-3 Ethanone,1-[2-(2-propen-1-yloxy)phenyl]- molecular structure lightbox
CAS RN: 53327-14-3

Ethanone,1-[2-(2-propen-1-yloxy)phenyl]-

  • Product code: SSC-160609
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 53327-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry
25g ≥95% 2 In Stock Hong Kong Inquiry

53327-14-3 / 1-(2-prop-2-enoxyphenyl)ethanone

Standard CAS: 53327-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53327-14-3
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
InChI
InChI=1S/C11H12O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h3-7H,1,8H2,2H3
InChIKey
FJRGLCZRSCMXSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
52.14
TPSA
26.3

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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