ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
TL;DR: ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate (CAS 1024235-93-5) is a chemical compound with molecular formula C20H18Cl2N2O3S and molecular weight 436.0415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-chloro-10-(3-chlorophenyl)-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 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate, F1601-0373, ethyl 4-chloro-10-(3-chlorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-13-carboxylate, ethyl 4-chloro-10-(3-chlorophenyl)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate, ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate
Technical Specifications
| Molecular Formula | C20H18Cl2N2O3S |
| Molecular Weight | 436.0415 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.0415 Da |
| Heavy Atoms | 28 |
| Complexity | 639.0 |
| SMILES | CCOC(=O)C1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)C4=CC(=CC=C4)Cl)C |
| InChIKey | VEVNXOADTPNPEO-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Property Insights of ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
The XLogP value of 4.6 indicates that ethyl 8-chloro-3-(3-chlorophenyl)-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 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 8-chloro-3-(3-chlorophenyl)-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 8-chloro-3-(3-chlorophenyl)-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 4 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 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The CAS number of ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is 1024235-93-5.
What is the molecular formula of ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The molecular formula of ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is C20H18Cl2N2O3S.
What is the molecular weight of ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate?
The molecular weight of ethyl 8-chloro-3-(3-chlorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate is 436.0415 g/mol.
Where can I buy ethyl 8-chloro-3-(3-chlorophenyl)-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 8-chloro-3-(3-chlorophenyl)-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 8-chloro-3-(3-chlorophenyl)-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 8-chloro-3-(3-chlorophenyl)-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.