Chemical Properties of Suxibuzone (CAS 27470-51-5)

InChI

InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)

InChI Key

ONWXNHPOAGOMTG-UHFFFAOYSA-N

Formula

C24H26N2O6

SMILES

CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

Molecular Weight¹

438.47

CAS

27470-51-5

Other Names

• Butanedioic acid, mono[(4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl] ester
• Succinic acid, monoester with 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione
• 4-Butyl-4-(«beta»-carboxypropionyl-oxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione
• 4-Butyl-4-hydroxymethyl-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinate
• 4-Butyl-4-(hydroxymethyl)-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinate (ester)
• AE-17
• Danilon
• Flogos
• Solurol
• 4-[(4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methoxy]-4-oxobutanoic acid
• 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-, hydrogen succinate (ester)
• 4-Hydroxymethylbutazolidine hemisuccinate
• Calibene

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	3.566		Crippen Calculated Property
McVol	328.620	ml/mol	McGowan Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST

Similar Compounds

Find more compounds similar to Suxibuzone.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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