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(4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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 1177935-01-1) is a chemical compound with molecular formula C25H20N2O4S2 and molecular weight 476.08646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

9-(4-hydroxyphenyl)-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-hydroxyphenyl)-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, AB00675751-01, F1734-0101, 9-(4-hydroxyphenyl)-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-hydroxyphenyl)-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

CAS Number
1177935-01-1
Molecular Formula
C25H20N2O4S2
Molecular Weight
476.08646 g/mol
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Technical Specifications

Molecular FormulaC25H20N2O4S2
Molecular Weight476.08646 g/mol
XLogP3.4
Topological Polar Surface Area (TPSA)137.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds2
Exact Mass476.08646 Da
Heavy Atoms33
Complexity939.0
SMILESC1C2C3C(C1C4C2C(=O)N(C4=O)C5=CC=CC=C5)SC6=C(C3C7=CC=C(C=C7)O)SC(=O)N6
InChIKeyROBUBRPOHAZESY-UHFFFAOYSA-N

Chemical Property Profile of (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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
3.4
TPSA (Topological Polar Surface Area)
137.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
2
Heavy Atoms
33
Complexity
939.0
Exact Mass
476.08646
Monoisotopic Mass
476.08646
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-hydroxyphenyl)-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 3.4 indicates that (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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-hydroxyphenyl)-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 2 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-hydroxyphenyl)-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-hydroxyphenyl)-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 1177935-01-1.

What is the molecular formula of (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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-hydroxyphenyl)-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 C25H20N2O4S2.

What is the molecular weight of (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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-hydroxyphenyl)-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 476.08646 g/mol.

Where can I buy (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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?

You can request a quote for (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-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-hydroxyphenyl)-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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