TL;DR: 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e (CAS 1005188-97-5) is a chemical compound with molecular formula C20H13ClN2O3S2 and molecular weight 428.0056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-(4-chlorophenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e, 5-(4-chlorophenyl)-8-phenyl-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3,7>]dodec- 1(9)-ene-4,6,11-trione, 6-(4-chlorophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 6-(4-chlorophenyl)-8-phenyl-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
| Molecular Formula | C20H13ClN2O3S2 |
| Molecular Weight | 428.0056 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.0056 Da |
| Heavy Atoms | 28 |
| Complexity | 744.0 |
| SMILES | C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)SC5=C2SC(=O)N5 |
| InChIKey | WJWCKMBMZIMZKF-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e. Following Lipinski's Rule of Five, 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e is 1005188-97-5.
The molecular formula of 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e is C20H13ClN2O3S2.
The molecular weight of 6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e is 428.0056 g/mol.
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