200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 875639-17-1
875639-17-1 | 3-(2-methoxyphenyl)-1-[(4-methylbenzene)sulfonyl]-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS No: 875639-17-1 Catalog No: AG00ITWW MDL No:MFCD28016157
Product Description
Catalog Number:
AG00ITWW
Chemical Name:
3-(2-methoxyphenyl)-1-[(4-methylbenzene)sulfonyl]-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS Number:
875639-17-1
Molecular Formula:
C27H29BN2O5S
Molecular Weight:
504.4056
MDL Number:
MFCD28016157
IUPAC Name:
3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C27H29BN2O5S/c1-18-11-13-20(14-12-18)36(31,32)30-17-23(21-9-7-8-10-24(21)33-6)22-15-19(16-29-25(22)30)28-34-26(2,3)27(4,5)35-28/h7-17H,1-6H3
InChI Key:
URUBMWLFJDWKHL-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1cn(c2c1cc(cn2)B1OC(C(O1)(C)C)(C)C)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
869
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.189g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.408g/mol
Monoisotopic Mass:
504.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.