3-Quinuclidinyl xanthene-9-carboxylate
TL;DR: 3-Quinuclidinyl xanthene-9-carboxylate (CAS 102585-08-0) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 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 1H-xanthene-9-carboxylate
Also Known As: 3-QXC, 3-Quinuclidinyl xanthene-9-carboxylate, 3-Quinuclidyl xanthene-9-carboxylate, 1-azabicyclo[2.2.2]octan-3-yl 1H-xanthene-9-carboxylate, Xanthene-9-carboxylic acid, 3-quinuclidinyl ester
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 102585-08-0 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C3=C4CC=CC=C4OC5=CC=CC=C53 |
| InChIKey | VWFBHVWTXINIBX-UHFFFAOYSA-N |
Product Overview
3-Quinuclidinyl xanthene-9-carboxylate (CAS 102585-08-0), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 1H-xanthene-9-carboxylate.
Chemical Property Profile of 3-Quinuclidinyl xanthene-9-carboxylate
Property Insights of 3-Quinuclidinyl xanthene-9-carboxylate
The XLogP value of 3.4 indicates that 3-Quinuclidinyl xanthene-9-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-Quinuclidinyl xanthene-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidinyl xanthene-9-carboxylate has 0 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 3-Quinuclidinyl xanthene-9-carboxylate?
The CAS number of 3-Quinuclidinyl xanthene-9-carboxylate is 102585-08-0.
What is the molecular formula of 3-Quinuclidinyl xanthene-9-carboxylate?
The molecular formula of 3-Quinuclidinyl xanthene-9-carboxylate is C21H21NO3.
What is the molecular weight of 3-Quinuclidinyl xanthene-9-carboxylate?
The molecular weight of 3-Quinuclidinyl xanthene-9-carboxylate is 335.15 g/mol.
Where can I buy 3-Quinuclidinyl xanthene-9-carboxylate?
You can request a quote for 3-Quinuclidinyl xanthene-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidinyl xanthene-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidinyl xanthene-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.