ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
TL;DR: ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate (CAS 1005087-87-5) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 10-ethyl-4-methoxy-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate
Also Known As: ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate, ethyl 10-ethyl-4-methoxy-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate, ethyl 10-ethyl-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate
Technical Specifications
| Molecular Formula | C17H22N2O4S |
| Molecular Weight | 350.13004 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.13004 Da |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
| SMILES | CCN1C(=S)NC2C(C1(OC3=C2C=C(C=C3)OC)C)C(=O)OCC |
| InChIKey | JBSLWVQWZUIFCE-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Property Insights of ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate. Following Lipinski's Rule of Five, ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate 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 ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The CAS number of ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is 1005087-87-5.
What is the molecular formula of ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The molecular formula of ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is C17H22N2O4S.
What is the molecular weight of ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The molecular weight of ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is 350.13004 g/mol.
Where can I buy ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
You can request a quote for ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.