Chemical Properties of Oxphenbutazone di-methyl derivative (CAS 27383-21-7)

InChI

InChI=1S/C21H24N2O3/c1-4-5-11-19-20(24)22(16-9-7-6-8-10-16)23(21(19)26-3)17-12-14-18(25-2)15-13-17/h6-10,12-15H,4-5,11H2,1-3H3

InChI Key

BAMWJBYBAKIYSU-UHFFFAOYSA-N

Formula

C21H24N2O3

SMILES

CCCCc1c(OC)n(-c2ccc(OC)cc2)n(-c2ccccc2)c1=O

Molecular Weight¹

352.43

CAS

27383-21-7

Other Names

• Oxyphenbutazone, dimethyl deriv.
• Phenylbutazone, hydroxy, bis-methylated
• 3H-Pyrazol-3-one, 4-butyl-1,2-dihydro-5-methoxy-1-(4-methoxyphenyl)-2-phenyl-

• 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	-6.08		Crippen Calculated Property
logPoct/wat	3.988		Crippen Calculated Property
McVol	277.340	ml/mol	McGowan Calculated Property
Inp	[2500.00; 2500.00]
Inp	2500.00		NIST
Inp	2500.00		NIST

Similar Compounds

Find more compounds similar to Oxphenbutazone di-methyl derivative.

Sources

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

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