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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 structure
Fine Chemical

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

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

CAS Number
1005188-97-5
Molecular Formula
C20H13ClN2O3S2
Molecular Weight
428.0056 g/mol
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Technical Specifications

Molecular FormulaC20H13ClN2O3S2
Molecular Weight428.0056 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)117.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds2
Exact Mass428.0056 Da
Heavy Atoms28
Complexity744.0
SMILESC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)SC5=C2SC(=O)N5
InChIKeyWJWCKMBMZIMZKF-UHFFFAOYSA-N

Chemical Property Profile 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

XLogP
3.8
TPSA (Topological Polar Surface Area)
117.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
28
Complexity
744.0
Exact Mass
428.0056
Monoisotopic Mass
428.0056
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights 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

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.

Frequently Asked Questions

What is 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?

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.

What is 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?

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.

What is 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?

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.

Where can I buy 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?

You can request a quote 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 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis 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?

Yes, CoreyChem provides custom synthesis services 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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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