Home Boronic acids 5-((4-Boc-piperazine)methyl)-2-thiopheneboronic acid pinacol ester

5-((4-Boc-piperazine)methyl)-2-thiopheneboronic acid pinacol ester

CAS No.:
2096333-65-0
Catalog Number:
AG01EBOC
Molecular Formula:
C20H33BN2O4S
Molecular Weight:
408.3630
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$82
- +
5g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG01EBOC
Chemical Name:
5-((4-Boc-piperazine)methyl)-2-thiopheneboronic acid pinacol ester
CAS Number:
2096333-65-0
Molecular Formula:
C20H33BN2O4S
Molecular Weight:
408.3630
MDL Number:
MFCD21647854
IUPAC Name:
tert-butyl 4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C20H33BN2O4S/c1-18(2,3)25-17(24)23-12-10-22(11-13-23)14-15-8-9-16(28-15)21-26-19(4,5)20(6,7)27-21/h8-9H,10-14H2,1-7H3
InChI Key:
GKNGTSJDANUMON-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccc(s1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
557  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.225g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.364g/mol
Monoisotopic Mass:
408.225g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties