Home Boronic acids 2-(4-Boc-piperazin-1-yl)-3-methylpyridine-5-boronic acid pinacol ester

2-(4-Boc-piperazin-1-yl)-3-methylpyridine-5-boronic acid pinacol ester

CAS No.:
1073354-54-7
Catalog Number:
AG003UJZ
Molecular Formula:
C21H34BN3O4
Molecular Weight:
403.3234
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$75
- +
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003UJZ
Chemical Name:
2-(4-Boc-piperazin-1-yl)-3-methylpyridine-5-boronic acid pinacol ester
CAS Number:
1073354-54-7
Molecular Formula:
C21H34BN3O4
Molecular Weight:
403.3234
MDL Number:
MFCD08064052
IUPAC Name:
tert-butyl 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C21H34BN3O4/c1-15-13-16(22-28-20(5,6)21(7,8)29-22)14-23-17(15)24-9-11-25(12-10-24)18(26)27-19(2,3)4/h13-14H,9-12H2,1-8H3
InChI Key:
OQIMQZMFVHOVSR-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(cc1C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.264g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.33g/mol
Monoisotopic Mass:
403.264g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties