Anc 821
TL;DR: Anc 821 (CAS 5447-56-3) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 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 1-phenylcyclohexane-1-carboxylate;hydrochloride
Also Known As: Anc 821, ANC821, 3-Hydroxyquinuclidyl-1-phenyl-1-cyclohexyl-1-carboxylate hydrochloride, Cyclohexanecarboxylic acid, 1-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester, hydrochloride, 1-azabicyclo[2.2.2]oct-3-yl 1-phenylcyclohexanecarboxylate hydrochloride(1:1)
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 3.9477 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 5447-56-3 |
|---|---|
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4.Cl |
| InChIKey | JYIJKBFWCCAWNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anc 821 (CAS 5447-56-3), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 1-phenylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of Anc 821
Property Insights of Anc 821
The XLogP value of 3.9477 indicates that Anc 821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Anc 821 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anc 821 has 1 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 Anc 821?
The CAS number of Anc 821 is 5447-56-3.
What is the molecular formula of Anc 821?
The molecular formula of Anc 821 is C20H28ClNO2.
What is the molecular weight of Anc 821?
The molecular weight of Anc 821 is 349.18 g/mol.
Where can I buy Anc 821?
You can request a quote for Anc 821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anc 821?
Yes, KEHONG BIO provides custom synthesis services for Anc 821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.