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CAS 59608-03-6 ethyl 3-(pyridin-3-yl)propiolate molecular structure lightbox
CAS RN: 59608-03-6

ethyl 3-(pyridin-3-yl)propiolate

  • Product code: SSC-168113
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 59608-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g -- 1 In Stock Hong Kong Inquiry
0.05g ≥95% 1 In Stock Hong Kong Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

59608-03-6 / ethyl 3-pyridin-3-ylprop-2-ynoate

Standard CAS: 59608-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59608-03-6
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
InChI
InChI=1S/C10H9NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h3-4,7-8H,2H2,1H3
InChIKey
CCSGBVGBVULUAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.75
TPSA
39.19

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
1.7
Consensus LogP
1.19
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-3.08

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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