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CAS 2739-98-2 Ethyl 2-Pyridylacetate molecular structure lightbox
CAS RN: 2739-98-2

Ethyl 2-Pyridylacetate

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250804 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251028 1ml In stock Inquiry
  • Product code: SSC-126594
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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, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • 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 2739-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 3 In Stock Beijing Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry
100g >98% 0 Out of Stock Shenzhen Inquiry

2739-98-2 / ethyl 2-pyridin-2-ylacetate

Standard CAS: 2739-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2739-98-2
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
CCOC(=O)CC1=CC=CC=N1
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKey
IUDKTVXSXWAKJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
44.57
TPSA
39.19

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
0.7
Consensus LogP
0.98
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.88

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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