tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3',6'-dihydro-2'H-[2,4'-bipyridine]-1'-carboxylate

tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3',6'-dihydro-2'H-[2,4'-bipyridine]-1'-carboxylate

CAS: 1534381-85-5

Formula: C21H31BN2O4

SMILES: CC(C)(C)OC(=O)N1CCC(=CC1)C1=CC=C(C=N1)B1OC(C)(C)C(C)(C)O1

IUPAC: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1',2',3',6'-tetrahydro-[2,4'-bipyridine]-1'-carboxylate

InChI: InChI=1S/C21H31BN2O4/c1-19(2,3)26-18(25)24-12-10-15(11-13-24)17-9-8-16(14-23-17)22-27-20(4,5)21(6,7)28-22/h8-10,14H,11-13H2,1-7H3

Composition: C (65.29%), H (8.09%), B (2.80%), N (7.25%), O (16.57%)

Molar Mass: 386.3

Atom Count: 59

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	386.237687
Formal Charge	0
FSP3	0.62
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YIXTZLHKLYAMSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.3
Topological Polar Surface Area	60.89
Polarizability	42.45
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1534381-85-5		$240.85-$369.47$240.85$369.47