AdBrettPhos

Inquiry

Molecular Formula:

C43H61O2P

Molecular Weight:

640.92

CAS Number:

1160861-59-5

Catalog Number:

1160861-59-5

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

640.44091818 g/mol

Monoisotopic Mass

640.44091818 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

934

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

AdBrettPhos

Product Information

Computed Properties

Related Products