3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate
TL;DR: 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate (CAS 63716-96-1) is a chemical compound with molecular formula C42H52N2O10S and molecular weight 776.3343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate);sulfuric acid;dihydrate
Also Known As: Ro 2-3202/2, 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate, Acetic acid, diphenyl-, ester with 3-quinuclidinol, hydrogen sulfate (2:1) dihydrate, Azabicyclo(2.2.1)octan-3-ol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate, 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate,sulfuric a
Technical Specifications
| Molecular Formula | C42H52N2O10S |
| Molecular Weight | 776.3343 g/mol |
| XLogP | 4.61 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 776.3343 Da |
| Heavy Atoms | 55 |
| Complexity | 481.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.O.O.OS(=O)(=O)O |
| InChIKey | GPWXGAXWESIXQU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate
Property Insights of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate
The XLogP value of 4.61 indicates that 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate?
The CAS number of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate is 63716-96-1.
What is the molecular formula of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate?
The molecular formula of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate is C42H52N2O10S.
What is the molecular weight of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate?
The molecular weight of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate is 776.3343 g/mol.
Where can I buy 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate?
You can request a quote for 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate?
Yes, CoreyChem provides custom synthesis services for 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.