ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
TL;DR: ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate (CAS 1023529-39-6) is a chemical compound with molecular formula C22H23FN2O4S and molecular weight 430.13626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-ethoxy-10-(4-fluorophenyl)-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 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate, F1601-0380, ethyl 6-ethoxy-10-(4-fluorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-13-carboxylate, ethyl 6-ethoxy-10-(4-fluorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate, ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate
Technical Specifications
| Molecular Formula | C22H23FN2O4S |
| Molecular Weight | 430.13626 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.13626 Da |
| Heavy Atoms | 30 |
| Complexity | 659.0 |
| SMILES | CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=CC=C(C=C4)F)C(=O)OCC)C |
| InChIKey | UKBLHBSJXGUZNM-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Property Insights of ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
The XLogP value of 3.8 indicates that ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 10-ethoxy-3-(4-fluorophenyl)-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 10-ethoxy-3-(4-fluorophenyl)-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 6 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 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The CAS number of ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is 1023529-39-6.
What is the molecular formula of ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The molecular formula of ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is C22H23FN2O4S.
What is the molecular weight of ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The molecular weight of ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is 430.13626 g/mol.
Where can I buy ethyl 10-ethoxy-3-(4-fluorophenyl)-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 10-ethoxy-3-(4-fluorophenyl)-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 10-ethoxy-3-(4-fluorophenyl)-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 10-ethoxy-3-(4-fluorophenyl)-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.