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CAS 2715-43-7 4-VINYL-BENZOIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 2715-43-7

4-VINYL-BENZOIC ACID ETHYL ESTER

  • Product code: SSC-125968
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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, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 2715-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry

2715-43-7 / ethyl 4-ethenylbenzoate

Standard CAS: 2715-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2715-43-7
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
SMILES
CCOC(=O)C1=CC=C(C=C1)C=C
InChI
InChI=1S/C11H12O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h3,5-8H,1,4H2,2H3
InChIKey
DYSXJBCEIBVGJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
52.49
TPSA
26.3

LogP / Solubility

WLOGP
2.51
MLOGP
2.2
XLogP3
3.4
Consensus LogP
2.7
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
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)
-2.02

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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