2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
TL;DR: 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester (CAS 101564-46-9) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 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-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate
Also Known As: 3-Quinuclidyl alpha-(2-cyclohexenyl)-alpha-phenylglycolate, 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester, 1-Azabicyclo[2.2.2]octan-3-yl (cyclohex-2-en-1-yl)(hydroxy)phenylacetate, (1s,4s)-1-azabicyclo[2.2.2]octan-3-yl 2-(cyclohex-2-en-1-yl)-2-hydroxy-2-phenylacetate, 1-Azabicyclo[2.2.2]octan-3-yl (cyclohex-2-en-1-yl)(hydroxy)(phenyl)acetate
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 2.8679 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 635.8011 |
Chemical Identifiers
| CAS Number | 101564-46-9 |
|---|---|
| SMILES | C1CC=CC(C1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O |
Product Overview
2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester (CAS 101564-46-9), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
Property Insights of 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
The XLogP value of 2.8679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 49.77 Ų, 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexeneglycolic 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 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The CAS number of 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is 101564-46-9.
What is the molecular formula of 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The molecular formula of 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is C21H27NO3.
What is the molecular weight of 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
The molecular weight of 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester is 341.20 g/mol.
Where can I buy 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
You can request a quote for 2-Cyclohexeneglycolic 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 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.