ethyl (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylate

ethyl (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylate

CAS: 745836-32-2

Formula: C16H21NO2

SMILES: [H][C@]12CC[C@]([H])(C1C(=O)OCC)N(CC1=CC=CC=C1)C2

IUPAC: ethyl (1R,4S)-2-benzyl-2-azabicyclo[2.2.1]heptane-7-carboxylate

InChI: InChI=1S/C16H21NO2/c1-2-19-16(18)15-13-8-9-14(15)17(11-13)10-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3/t13-,14-,15?/m1/s1

Composition: C (74.10%), H (8.16%), N (5.40%), O (12.34%)

Molar Mass: 259.349

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	259.15722892
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HDLAPPYOWZTRFN-GRKKQISMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.76
Topological Polar Surface Area	29.54
Polarizability	29.58
Ring Count	3
Rotatable Bond Count	5

Suppliers

Shanghai AQ BioPharma Co., Ltd.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<8 Days	745836-32-2		$291.43-$4,196.57$291.43$874.29$1,398.86$2,622.86$4,196.57