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2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate

2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate

Formula: C30H25NO5

SMILES: CC1C=CCC2C1C(=O)N(C2=O)C1=CC=CC(=C1)C(=O)OCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 3-(4-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzoate

InChI: InChI=1/C30H25NO5/c1-19-7-5-12-25-27(19)29(34)31(28(25)33)24-11-6-10-23(17-24)30(35)36-18-26(32)22-15-13-21(14-16-22)20-8-3-2-4-9-20/h2-11,13-17,19,25,27H,12,18H2,1H3

Composition: C (75.14%), H (5.26%), N (2.92%), O (16.68%)

Molar Mass: 479.532

Atom Count: 61

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 479.173272909
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XSRKXFIVPIRANC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 136.23
Topological Polar Surface Area 80.75
Polarizability 53.32
Ring Count 5
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C30H25NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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