9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-
TL;DR: 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- (CAS 112605-31-9) is a chemical compound with molecular formula C21H21NO2S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 9H-thioxanthene-9-carboxylate
Also Known As: KST-1A0965, (3r)-1-azabicyclo[2.2.2]oct-3-yl 9h-thioxanthene-9-carboxylate, 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-, 1-azabicyclo[2.2.2]octan-3-yl 9H-thioxanthene-9-carboxylate, [(8S)-1-azabicyclo[2.2.2]oct-8-yl] 9H-thioxanthene-9-carboxylate
| Molecular Formula | C21H21NO2S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1293 |
| Heavy Atoms | 25 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 112605-31-9 |
|---|---|
| SMILES | C1CN2CCC1[C@H](C2)OC(=O)C3C4=CC=CC=C4SC5=CC=CC=C35 |
| InChIKey | YOMAFTQMEKOWLJ-KRWDZBQOSA-N |
Product Overview
9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- (CAS 112605-31-9), with molecular formula C21H21NO2S and molecular weight 351.13 g/mol. IUPAC: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 9H-thioxanthene-9-carboxylate.
Chemical Property Profile of 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-
Property Insights of 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-
The XLogP value of 3.5 indicates that 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- 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 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-?
The CAS number of 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- is 112605-31-9.
What is the molecular formula of 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-?
The molecular formula of 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- is C21H21NO2S.
What is the molecular weight of 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-?
The molecular weight of 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- is 351.13 g/mol.
Where can I buy 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-?
You can request a quote for 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Thioxanthene-9-carboxylic acid, 1-azabicyclo(2.2.2)oct-3-yl ester, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.