Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
TL;DR: Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester (CAS 29125-54-0) is a chemical compound with molecular formula C21H29NO3 and molecular weight 343.21 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-cyclohexyl-2-hydroxy-2-phenylacetate
Also Known As: 3-Quinuclidinyl alpha-phenylcyclohexaneglycolate, 3-((2-Cyclohexyl-2-hydroxy-2-phenylethanoyl)oxy)quinuclidine, Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester, 1-Azabicyclo[2.2.2]octan-3-yl cyclohexyl(hydroxy)phenylacetate, 1-Azabicyclo[2.2.2]octan-3-yl cyclohexyl(hydroxy)(phenyl)acetate
| Molecular Formula | C21H29NO3 |
|---|---|
| Molecular Weight | 343.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.21475 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 29125-54-0 |
|---|---|
| SMILES | C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O |
| InChIKey | SWZDDEVSNRTITP-UHFFFAOYSA-N |
Product Overview
Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester (CAS 29125-54-0), with molecular formula C21H29NO3 and molecular weight 343.21 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
Property Insights of Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
The XLogP value of 4.0 indicates that Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester 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 Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The CAS number of Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is 29125-54-0.
What is the molecular formula of Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The molecular formula of Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is C21H29NO3.
What is the molecular weight of Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The molecular weight of Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is 343.21 g/mol.
Where can I buy Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
You can request a quote for Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.