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CAS 918967-32-5 Ethyl 5-(Methylsulfonyl)pyridine-2-carboxylate molecular structure lightbox
CAS RN: 918967-32-5

Ethyl 5-(Methylsulfonyl)pyridine-2-carboxylate

  • Product code: SSC-205384
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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: 5g, 1g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 918967-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry

918967-32-5 / ethyl 5-methylsulfonylpyridine-2-carboxylate

Standard CAS: 918967-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
918967-32-5
Multi CAS
Yes
Molecular Formula
C9H11NO4S
Molecular Weight
229.260000
Exact Mass
229.040879
InChI
InChI=1S/C9H11NO4S/c1-3-14-9(11)8-5-4-7(6-10-8)15(2,12)13/h4-6H,3H2,1-2H3
InChIKey
UFEHGPVVTRPMKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
53.3
TPSA
73.33

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-3.65

Drug-likeness / Medicinal Chemistry

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

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