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(4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione structure
Fine Chemical

(4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione

TL;DR: (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione (CAS 1177578-33-4) is a chemical compound with molecular formula C26H22N2O4S2 and molecular weight 490.1021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

9-(4-methoxyphenyl)-14-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione

Also Known As: (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione, F1734-0011, 9-(4-methoxyphenyl)-14-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione, 10-(4-methoxyphenyl)-7-phenyl-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione, 3-(4-methoxyphenyl)-14-phenyl-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10>.0< 4,8>.0<12,16>]heptadec-4(8)-ene-6,13,15-trione

CAS Number
1177578-33-4
Molecular Formula
C26H22N2O4S2
Molecular Weight
490.1021 g/mol
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Technical Specifications

Molecular FormulaC26H22N2O4S2
Molecular Weight490.1021 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)126.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds3
Exact Mass490.1021 Da
Heavy Atoms34
Complexity954.0
SMILESCOC1=CC=C(C=C1)C2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)C7=CC=CC=C7
InChIKeyQSLWCGBKRYOZIA-UHFFFAOYSA-N

Chemical Property Profile of (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione

XLogP
3.7
TPSA (Topological Polar Surface Area)
126.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
3
Heavy Atoms
34
Complexity
954.0
Exact Mass
490.1021
Monoisotopic Mass
490.1021
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 (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione

The XLogP value of 3.7 indicates that (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione. Following Lipinski's Rule of Five, (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione 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 (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?

The CAS number of (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is 1177578-33-4.

What is the molecular formula of (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?

The molecular formula of (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is C26H22N2O4S2.

What is the molecular weight of (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?

The molecular weight of (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is 490.1021 g/mol.

Where can I buy (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?

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Does CoreyChem offer custom synthesis for (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?

Yes, CoreyChem provides custom synthesis services for (4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-7-phenyl-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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