1-{[1,1'-biphenyl]-4-yl}-1-oxohexan-2-yl 1,3-dioxo-2-{4-[(pentyloxy)carbonyl]phenyl}isoindole-5-carboxylate

1-{[1,1'-biphenyl]-4-yl}-1-oxohexan-2-yl 1,3-dioxo-2-{4-[(pentyloxy)carbonyl]phenyl}isoindole-5-carboxylate

Formula: C39H37NO7

SMILES: CCCCCOC(=O)C1=CC=C(C=C1)N1C(=O)C2=CC=C(C=C2C1=O)C(=O)OC(CCCC)C(=O)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 1-{[1,1'-biphenyl]-4-yl}-1-oxohexan-2-yl 1,3-dioxo-2-{4-[(pentyloxy)carbonyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylate

InChI: InChI=1/C39H37NO7/c1-3-5-10-24-46-38(44)29-18-21-31(22-19-29)40-36(42)32-23-20-30(25-33(32)37(40)43)39(45)47-34(13-6-4-2)35(41)28-16-14-27(15-17-28)26-11-8-7-9-12-26/h7-9,11-12,14-23,25,34H,3-6,10,13,24H2,1-2H3

Composition: C (74.15%), H (5.90%), N (2.22%), O (17.73%)

Molar Mass: 631.725

Atom Count: 84

Heavy Atom Count: 47

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	631.257002535
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	NWANNQYGGVDRAM-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	179.77
Topological Polar Surface Area	107.05
Polarizability	70.09
Ring Count	5
Rotatable Bond Count	16

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C39H37NO7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00