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CAS 2739-74-4 ethyl 3-pyridin-2-ylpropanoate molecular structure lightbox
CAS RN: 2739-74-4

ethyl 3-pyridin-2-ylpropanoate

  • Product code: SSC-126592
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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, 0.25g, 0.1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 2739-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

2739-74-4 / ethyl 3-pyridin-2-ylpropanoate

Standard CAS: 2739-74-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2739-74-4
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CCOC(=O)CCC1=CC=CC=N1
InChI
InChI=1S/C10H13NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h3-5,8H,2,6-7H2,1H3
InChIKey
MWOKKDYGYSPXIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
49.19
TPSA
39.19

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.1
Consensus LogP
1.36
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.69

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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