Chemical Properties of Mesoporphyrin ix dimethyl ester (CAS 1263-63-4)

InChI

InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37,40H,9-14H2,1-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-

InChI Key

LUUYUVIPWOKSNM-MFBGAUBSSA-N

Formula

C36H42N4O4

SMILES

CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3CC

Molecular Weight¹

594.74

CAS

1263-63-4

Other Names

21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester
Mesoporphyrin dimethyl ester
2,18-Porphinedipropionic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester
Dimethyl 8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionate

Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_solid	-19345.00	kJ/mol	NIST
log₁₀WS	-11.56		Crippen Calculated Property
logP_oct/wat	6.860		Crippen Calculated Property
McVol	471.300	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Mesoporphyrin ix dimethyl ester.

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