tert-butyl 4-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate

tert-butyl 4-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate

CAS: 1356944-21-2

Formula: C22H35BN2O5

SMILES: COC1=CC(=CC(=C1)N1CCN(CC1)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1

IUPAC: tert-butyl 4-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate

InChI: InChI=1S/C22H35BN2O5/c1-20(2,3)28-19(26)25-11-9-24(10-12-25)17-13-16(14-18(15-17)27-8)23-29-21(4,5)22(6,7)30-23/h13-15H,9-12H2,1-8H3

Composition: C (63.16%), H (8.43%), B (2.58%), N (6.70%), O (19.12%)

Molar Mass: 418.34

Atom Count: 65

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	418.263902
Formal Charge	0
FSP3	0.68
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ZQLRVXGMMCRFFI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.36
Topological Polar Surface Area	60.47
Polarizability	45.41
Ring Count	3
Rotatable Bond Count	5

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1356944-21-2		$738.00-$1,477.00$738.00$1,108.00$1,477.00