3-Quinuclidinyl 4-azidobenzilate
TL;DR: 3-Quinuclidinyl 4-azidobenzilate (CAS 85474-81-3) is a chemical compound with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate
Also Known As: QABZ, 3-Quinuclidinyl p-azidobenzilate, 3-Quinuclidinyl 4-azidobenzilate, 3-quinuclidinyl4-azidobenzilate, 1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate
| Molecular Formula | C21H22N4O3 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.1692 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 85474-81-3 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)N=[N+]=[N-])O |
| InChIKey | CVSURLUCVFEDOO-UHFFFAOYSA-N |
Product Overview
3-Quinuclidinyl 4-azidobenzilate (CAS 85474-81-3), with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of 3-Quinuclidinyl 4-azidobenzilate
Property Insights of 3-Quinuclidinyl 4-azidobenzilate
The XLogP value of 4.2 indicates that 3-Quinuclidinyl 4-azidobenzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Quinuclidinyl 4-azidobenzilate. Following Lipinski's Rule of Five, 3-Quinuclidinyl 4-azidobenzilate has 1 hydrogen bond donor(s) and 6 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 3-Quinuclidinyl 4-azidobenzilate?
The CAS number of 3-Quinuclidinyl 4-azidobenzilate is 85474-81-3.
What is the molecular formula of 3-Quinuclidinyl 4-azidobenzilate?
The molecular formula of 3-Quinuclidinyl 4-azidobenzilate is C21H22N4O3.
What is the molecular weight of 3-Quinuclidinyl 4-azidobenzilate?
The molecular weight of 3-Quinuclidinyl 4-azidobenzilate is 378.17 g/mol.
Where can I buy 3-Quinuclidinyl 4-azidobenzilate?
You can request a quote for 3-Quinuclidinyl 4-azidobenzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidinyl 4-azidobenzilate?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidinyl 4-azidobenzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.