AdBrettPhos
Product Information
Molecular Formula
C43H61O2P
Molecular Weight
640.92
Description
AdBrettPhos is a phosphorus-based compound extensively used in the biomedical industry. It acts as a key component for the synthesis of various drugs, particularly those targeting neurological disorders, such as Alzheimer's and Parkinson's disease. Its high potency and specificity make AdBrettPhos an essential tool for researchers and pharmaceutical companies in their pursuit of effective treatments for these debilitating conditions.
Synonyms
Di-Ad-BrettPhos
IUPAC Name
bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC)OC)C(C)C
InChI
InChI=1S/C43H61O2P/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3
InChI Key
NMGHOZQCYNKWBG-UHFFFAOYSA-N
Melting Point
231-235 °C
Flash Point
Not applicable
Purity
95%
Computed Properties
XLogP3
11.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
9
Exact Mass
640.44091818 g/mol
Monoisotopic Mass
640.44091818 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
46
Formal Charge
0
Complexity
934
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
