Home Boronic acids 4-(4-Boc-piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester

4-(4-Boc-piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester

CAS No.:
1042917-53-2
Catalog Number:
AG008URL
Molecular Formula:
C21H33BN2O6S
Molecular Weight:
452.3725
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$73
- +
1g
97%
In Stock USA
United States
$175
- +
5g
97%
In Stock USA
United States
$483
- +
Product Description
Catalog Number:
AG008URL
Chemical Name:
4-(4-Boc-piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester
CAS Number:
1042917-53-2
Molecular Formula:
C21H33BN2O6S
Molecular Weight:
452.3725
MDL Number:
MFCD14702533
IUPAC Name:
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine-1-carboxylate
InChI:
InChI=1S/C21H33BN2O6S/c1-19(2,3)28-18(25)23-12-14-24(15-13-23)31(26,27)17-10-8-16(9-11-17)22-29-20(4,5)21(6,7)30-22/h8-11H,12-15H2,1-7H3
InChI Key:
SYBIHBXDDYAZBX-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
742  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.215g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.373g/mol
Monoisotopic Mass:
452.215g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties