二苯基氨基甲酸3-奎宁环酯
TL;DR: 二苯基氨基甲酸3-奎宁环酯 (CAS 17656-14-3) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯基氨基甲酸3-奎宁环酯
1-azabicyclo[2.2.2]octan-3-yl N,N-diphenylcarbamate
Also Known As: 3-Quinuclidyl diphenylcarbamate, quinuclidin-3-yl N,N-diphenylcarbamate, NCI60_022766, CARBAMIC ACID, DIPHENYL-, 3-QUINUCLIDINYL ESTER, N,N-Diphenylcarbamic acid 3-quinuclidinyl ester
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 17656-14-3 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | IJIHPPHWXPHTRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苯基氨基甲酸3-奎宁环酯 (CAS 17656-14-3), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl N,N-diphenylcarbamate.
Chemical Property Profile of 二苯基氨基甲酸3-奎宁环酯
Property Insights of 二苯基氨基甲酸3-奎宁环酯
The XLogP value of 3.9 indicates that 二苯基氨基甲酸3-奎宁环酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 二苯基氨基甲酸3-奎宁环酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苯基氨基甲酸3-奎宁环酯 has 0 hydrogen bond donor(s) and 3 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 二苯基氨基甲酸3-奎宁环酯?
The CAS number of 二苯基氨基甲酸3-奎宁环酯 is 17656-14-3.
What is the molecular formula of 二苯基氨基甲酸3-奎宁环酯?
The molecular formula of 二苯基氨基甲酸3-奎宁环酯 is C20H22N2O2.
What is the molecular weight of 二苯基氨基甲酸3-奎宁环酯?
The molecular weight of 二苯基氨基甲酸3-奎宁环酯 is 322.17 g/mol.
Where can I buy 二苯基氨基甲酸3-奎宁环酯?
You can request a quote for 二苯基氨基甲酸3-奎宁环酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯基氨基甲酸3-奎宁环酯?
Yes, KEHONG BIO provides custom synthesis services for 二苯基氨基甲酸3-奎宁环酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.