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MS436

MS436 structure

CAS No:
1395084-25-9
Formula:
C18H17N5O3S
Chemical Name:
MS436
Synonyms:
4-[(1E)-2-(2-Amino-4-hydroxy-5-methylphenyl)diazenyl]-N-2-pyridinylbenzenesulfonamide;4-[(1E)-2-(2-Amino-4-hydroxy-5-methylphenyl)diazenyl]-N-2-pyridinylbenzenesulfonamide MS436;MS436 4-[(1E)-2-(2-Amino-4-hydroxy-5-methylphenyl)diazenyl]-N-2-pyridinylbenzenesulfonamide;MS 436, >=98%;MS436
Categories:
Biochemical Engineering > Inhibitors

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MS436 Basic Attributes

Molecular Weight：

383.42428

Exact Mass：

383.10521059

Characteristics

PSA：

134.92000

XLogP3：

3.94900

Density：

1.42±0.1 g/cm3(Predicted)

Boiling Point：

673.7±65.0 °C(Predicted)

MS436 Use and Manufacturing

B. Synthesis ofTarget-7: MS0129436To a stirred solution of amine (12 g, 0.048 lmol) in methanol and ACN (1 : 1, 240 mL) was added cone. HC1 (20.4 mL) and stirred at 0 °C to -2 °C for 5 min. Then isoamyl nitrite (6.48mL, 0.553 mol) was added dropwise for 10 min under inert atmosphere and the reaction mixture was stirred at 0°C for 45 min. Meanwhile homogenous solution of 5- aminocresol (5.92 g, 0.0481 mol) and potassium carbonate (33.2 g, 0.24067 mol) in water (500 mL) was prepared. This solution was de-gassed by purging N

Computed Properties

Molecular Weight:383.4
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:383.10521059
Monoisotopic Mass:383.10521059
Topological Polar Surface Area:138
Heavy Atom Count:27
Complexity:601
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes