5-methyl-2-[(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzenesulfonic acid

CAS: 27711-77-9

Molecular Formula	`C24H18N2O5S`
Molecular Weight	446.5 g/mol
LogP	3.4
Topological Polar Surface Area	112.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	446.09363
Heavy Atoms	32
Complexity	925.0

Chemical Identifiers

CAS Number	27711-77-9
SMILES	`CC1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C)S(=O)(=O)O`
InChIKey	`UBBCSDOKROBQLR-UHFFFAOYSA-N`

📖 Product Overview

5-methyl-2-[(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzenesulfonic acid (CAS: 27711-77-9) is a chemical compound with molecular formula C24H18N2O5S and molecular weight 446.5 g/mol. Its IUPAC systematic name is 5-methyl-2-[(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzenesulfonic acid. LogP 3.4 Topological Polar Surface Area 112.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 446.09363 Heavy Atoms 32 Complexity 925.0 InChI Key: UBBCSDOKROBQLR-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C)S(=O)(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 5-methyl-2-[(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzenesulfonic acid.

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