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2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 2-(1,3-dioxoisoindol-2-yl)-4-(methylsulfanyl)butanoate

2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 2-(1,3-dioxoisoindol-2-yl)-4-(methylsulfanyl)butanoate

Formula: C27H23NO5S

SMILES: CSCCC(N1C(=O)C2=C(C=CC=C2)C1=O)C(=O)OCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 2-{[1,1'-biphenyl]-4-yl}-2-oxoethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-(methylsulfanyl)butanoate

InChI: InChI=1/C27H23NO5S/c1-34-16-15-23(28-25(30)21-9-5-6-10-22(21)26(28)31)27(32)33-17-24(29)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3

Composition: C (68.48%), H (4.90%), N (2.96%), O (16.89%), S (6.77%)

Molar Mass: 473.54

Atom Count: 57

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 473.129694019
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey MYCVHQVOZTVKCF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 131.69
Topological Polar Surface Area 80.75
Polarizability 51.43
Ring Count 4
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H23NO5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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