2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine
TL;DR: 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine (CAS 112290-19-4) is a chemical compound with molecular formula C19H20N2O3S and molecular weight 356.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-benzamido-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate
Also Known As: 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine, 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-(benzoylamino)-, ethyl ester, 2-Benzoylamino-3-ethoxycarbonylthienoquinuclidine, Ethyl 2-benzamido-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate, BRN 5770872
Technical Specifications
| Molecular Formula | C19H20N2O3S |
| Molecular Weight | 356.11948 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.11948 Da |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)C4=CC=CC=C4 |
| InChIKey | ANRJYVDCGZSESG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine
Property Insights of 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine
The XLogP value of 4.3 indicates that 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine. Following Lipinski's Rule of Five, 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine 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 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
The CAS number of 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine is 112290-19-4.
What is the molecular formula of 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
The molecular formula of 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine is C19H20N2O3S.
What is the molecular weight of 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
The molecular weight of 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine is 356.11948 g/mol.
Where can I buy 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
You can request a quote for 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine?
Yes, CoreyChem provides custom synthesis services for 2-Benzoylamino-3-ethoxycarbonylthieno(2,3-b)quinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.