4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester
TL;DR: 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester (CAS 112290-20-7) is a chemical compound with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate
Also Known As: 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester, 2-(3,4,5-Trimethoxybenzoylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine, 2-(3,4,5-trimethoxybenzoylamino)-3-ethoxycarbonylthieno[2,3-b]quinuclidine, Ethyl 2-(3,4,5-trimethoxybenzamido)-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate, BRN 5780658
| Molecular Formula | C22H26N2O6S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 3.9003 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.15115 |
| Heavy Atoms | 31 |
| Complexity | 984.66547 |
Chemical Identifiers
| CAS Number | 112290-20-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester (CAS 112290-20-7), with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol. IUPAC: ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate.
Chemical Property Profile of 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester
Property Insights of 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester
The XLogP value of 3.9003 indicates that 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester has 1 hydrogen bond donor(s) and 8 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 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester?
The CAS number of 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester is 112290-20-7.
What is the molecular formula of 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester?
The molecular formula of 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester is C22H26N2O6S.
What is the molecular weight of 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester?
The molecular weight of 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester is 446.15 g/mol.
Where can I buy 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester?
You can request a quote for 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((3,4,5-trimethoxybenzoyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.