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CAS 6269-91-6 2-Methyl-5-nitrobenzenesulfonamide molecular structure lightbox
CAS RN: 6269-91-6

2-Methyl-5-nitrobenzenesulfonamide

  • Product code: SSC-171956
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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: >97%
  • 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 6269-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

6269-91-6 / 2-methyl-5-nitrobenzenesulfonamide

Standard CAS: 6269-91-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6269-91-6
Multi CAS
Yes
Molecular Formula
C7H8N2O4S
Molecular Weight
216.220000
Exact Mass
216.020478
InChI
InChI=1S/C7H8N2O4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
InChIKey
CLXWMMGXFSZUNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.21
TPSA
103.3

LogP / Solubility

WLOGP
0.55
MLOGP
0.49
XLogP3
0.7
Consensus LogP
0.58
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.65

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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