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CAS 56825-29-7 2-(Methylsulfonyl)-3-nitropyridine molecular structure lightbox
CAS RN: 56825-29-7

2-(Methylsulfonyl)-3-nitropyridine

  • Product code: SSC-164844
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 56825-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

56825-29-7 / 2-methylsulfonyl-3-nitropyridine

Standard CAS: 56825-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56825-29-7
Multi CAS
No
Molecular Formula
C6H6N2O4S
Molecular Weight
202.190000
Exact Mass
202.004828
InChI
InChI=1S/C6H6N2O4S/c1-13(11,12)6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
InChIKey
STJMXSFTAWNECC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
44
TPSA
90.17

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.3
Consensus LogP
0.35
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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