(S)-[(2R,5Z)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl acetate

(S)-[(2R,5Z)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl acetate

CAS: 139239-49-9

Formula: C22H26N2O3

SMILES: COC1=CC=C2N=CC=C([C@H](OC(C)=O)[C@H]3CC4CCN3CC4=C/C)C2=C1

IUPAC: (S)-[(2R,5Z)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl acetate

InChI: InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,16,21-22H,8,10-11,13H2,1-3H3/b15-4+/t16?,21-,22-/m0/s1

Composition: C (72.11%), H (7.15%), N (7.64%), O (13.10%)

Molar Mass: 366.461

Atom Count: 53

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	366.194342705
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UVUZUZKZOWNTJI-BTCOUWEZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.57
Topological Polar Surface Area	51.66
Polarizability	42.16
Ring Count	4
Rotatable Bond Count	5

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
%	<6 Days	139239-49-9		$1,552.50-$3,401.70$1,552.50$3,401.70