2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1-benzothiophen-6-ol

2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1-benzothiophen-6-ol

CAS: 216570-81-9

Formula: C27H27NO3S

SMILES: OC1=CC=C(C=C1)C1=C(C2=CC=C(O)C=C2S1)C1=CC=C(OCCN2CCCCC2)C=C1

IUPAC: 2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1-benzothiophen-6-ol

InChI: InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2

Composition: C (72.78%), H (6.11%), N (3.14%), O (10.77%), S (7.20%)

Molar Mass: 445.58

Atom Count: 59

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	445.171164907
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ULDLKHSSWQBEPC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	130.04
Topological Polar Surface Area	52.93
Polarizability	54.08
Ring Count	5
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	216570-81-9		$230.85-$626.04$230.85$347.04$626.04