tert-butyl (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

tert-butyl (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

CAS: 586966-54-3

Formula: C29H32FNO4

SMILES: CC(C)(C)OC(=O)C[C@H](O)C[C@H](O)C=CC1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1

IUPAC: tert-butyl (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

InChI: InChI=1S/C29H32FNO4/c1-29(2,3)35-26(34)17-22(33)16-21(32)14-15-24-27(18-10-12-20(30)13-11-18)23-6-4-5-7-25(23)31-28(24)19-8-9-19/h4-7,10-15,19,21-22,32-33H,8-9,16-17H2,1-3H3/b15-14+/t21-,22-/m1/s1

Composition: C (72.93%), H (6.75%), F (3.98%), N (2.93%), O (13.40%)

Molar Mass: 477.576

Atom Count: 67

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	477.231536677
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RCARMBIYAHBUHR-UQECUQMJSA-N
Lipinski's Rule of Five
Molar Refractivity	134.31
Topological Polar Surface Area	79.65
Polarizability	54.28
Ring Count	4
Rotatable Bond Count	10

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98%	<5 Days	586966-54-3		$600.00-$9,000.00$600.00$5,000.00$9,000.00