1-methanesulfonyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

1-methanesulfonyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

CAS: 1428329-80-9

Formula: C18H28BNO4S

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C1CCN(CC1)S(C)(=O)=O

IUPAC: 1-methanesulfonyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

InChI: InChI=1S/C18H28BNO4S/c1-17(2)18(3,4)24-19(23-17)16-8-6-14(7-9-16)15-10-12-20(13-11-15)25(5,21)22/h6-9,15H,10-13H2,1-5H3

Composition: C (59.18%), H (7.73%), B (2.96%), N (3.83%), O (17.52%), S (8.78%)

Molar Mass: 365.3

Atom Count: 53

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	365.18321
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DTGDCKYWMHHVHA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.3
Topological Polar Surface Area	55.84
Polarizability	39.63
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1428329-80-9		$80.70$80.70