Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester
TL;DR: Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester (CAS 102585-04-6) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl 9-hydroxyxanthene-9-carboxylate
Also Known As: 3-Quinuclidinyl 9-hydroxyxanthene-9-carboxylate, 9-Hydroxyxanthene-9-carboxylic acid 3-quinuclidinyl ester, Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]octan-3-yl 9-hydroxyxanthene-9-carboxylate, 9H-Xanthene-9-carboxylicacid, 9-hydroxy-, 1-azabicyclo[2.2.2]oct-3-yl ester
Technical Specifications
| Molecular Formula | C21H21NO4 |
| Molecular Weight | 351.14706 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.14706 Da |
| Heavy Atoms | 26 |
| Complexity | 522.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C3(C4=CC=CC=C4OC5=CC=CC=C53)O |
| InChIKey | HQPXRUWNRQRMCU-UHFFFAOYSA-N |
Chemical Property Profile of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester
Property Insights of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester?
The CAS number of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester is 102585-04-6.
What is the molecular formula of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester?
The molecular formula of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester is C21H21NO4.
What is the molecular weight of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester?
The molecular weight of Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester is 351.14706 g/mol.
Where can I buy Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester?
You can request a quote for Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester?
Yes, CoreyChem provides custom synthesis services for Xanthene-9-carboxylic acid, 9-hydroxy-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.