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CAS 36268-67-4 4-(METHANESULFONYLAMINO)BENZONITRILE molecular structure lightbox
CAS RN: 36268-67-4

4-(METHANESULFONYLAMINO)BENZONITRILE

  • Product code: SSC-143453
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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, 25g, 10g
  • 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 36268-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

36268-67-4 / N-(4-cyanophenyl)methanesulfonamide

Standard CAS: 36268-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36268-67-4
Multi CAS
No
Molecular Formula
C8H8N2O2S
Molecular Weight
196.230000
Exact Mass
196.030649
InChI
InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKey
BRDHOCVMWSXEHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.62
TPSA
69.96

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.88
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.26

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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