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CAS 13440-22-7 N-Methyl-o-toluenesulfonamide molecular structure lightbox
CAS RN: 13440-22-7

N-Methyl-o-toluenesulfonamide

  • Product code: SSC-042095
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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, 5g, 10g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 13440-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Hong Kong Inquiry
0.25g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry

13440-22-7 / N,2-dimethylbenzenesulfonamide

Standard CAS: 13440-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13440-22-7
Multi CAS
No
Molecular Formula
C8H11NO2S
Molecular Weight
185.250000
Exact Mass
185.051050
SMILES
CC1=CC=CC=C1S(=O)(=O)NC
InChI
InChI=1S/C8H11NO2S/c1-7-5-3-4-6-8(7)12(10,11)9-2/h3-6,9H,1-2H3
InChIKey
BAJXNEYFJDMIFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.42
TPSA
46.17

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1.2
Consensus LogP
0.96
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-3.21

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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