二苯乙醇酸-3-喹咛环酯
TL;DR: 二苯乙醇酸-3-喹咛环酯 (CAS 6581-06-2) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯乙醇酸-3-喹咛环酯
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
Also Known As: 3-Quinuclidinyl benzilate, Buzz, QUINUCLIDINYL BENZILATE, Agent BZ, Substance 78
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
| Melting Point | 164 °C |
| Density | Decomposition point begins at 170 °C. Complete in 2 hours at 200 °C. Rate of hydrolysis: 25 °C at pH 7.0, about 4 weeks; at pH 9, 16 days, 16 hours; at pH 13, 1.8 minutes. Solid bulk density: 0.51 g/cu cm |
| Solubility | Stable in most solvents ... soluble in propylene glycol, DMSO, and other solvents. |
| Vapor Pressure | 0.0000000002 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 6581-06-2 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | HGMITUYOCPPQLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯乙醇酸-3-喹咛环酯 (CAS 6581-06-2), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 二苯乙醇酸-3-喹咛环酯
Property Insights of 二苯乙醇酸-3-喹咛环酯
The XLogP value of 3.3 indicates that 二苯乙醇酸-3-喹咛环酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 二苯乙醇酸-3-喹咛环酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯乙醇酸-3-喹咛环酯 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二苯乙醇酸-3-喹咛环酯?
The CAS number of 二苯乙醇酸-3-喹咛环酯 is 6581-06-2.
What is the molecular formula of 二苯乙醇酸-3-喹咛环酯?
The molecular formula of 二苯乙醇酸-3-喹咛环酯 is C21H23NO3.
What is the molecular weight of 二苯乙醇酸-3-喹咛环酯?
The molecular weight of 二苯乙醇酸-3-喹咛环酯 is 337.17 g/mol.
Where can I buy 二苯乙醇酸-3-喹咛环酯?
You can request a quote for 二苯乙醇酸-3-喹咛环酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯乙醇酸-3-喹咛环酯?
Yes, KEHONG BIO provides custom synthesis services for 二苯乙醇酸-3-喹咛环酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.