4-(morpholinylcarbonylamino)phenylboronic acid, pinacol ester
Product Information
Molecular Formula
C17H25BN2O4
Molecular Weight
332.20
Description
4-(morpholinylcarbonylamino)phenylboronic acid, pinacol ester is a potent boronic acid derivative used in biomedicine to target and treat certain diseases. It exhibits excellent stability and can specifically bind to proteins or enzymes involved in diseases such as cancer or diabetes. Its unique structure allows for precise drug delivery and therapeutic interventions, offering promising prospects in precision medicine.
Synonyms
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine-4-carboxamide; N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide; 4-(Morpholinylcarbonylamino)phenylboronic acid, pinacol ester; 4-Morpholinecarboxamide,N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl); 4-(4-Morpholinylcarbonylamino)benzeneboronic acid pinacol ester; 4-(4-Morpholinylcarbonylamino)benzeneboronic acid pinacol ester, 98%; 4-(morpholinylcarbonylamino)phenylboronic acid, pinacol ester; 4-Morpholinecarboxamide,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
IUPAC Name
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)N3CCOCC3
InChI
InChI=1S/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)13-5-7-14(8-6-13)19-15(21)20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)
InChI Key
NPVFWSDIINWNDP-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
332.1907374 g/mol
Monoisotopic Mass
332.1907374 g/mol
Topological Polar Surface Area
60Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
442
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
