![4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid structure](/static/products/1212/1212251-66-5.webp)
4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid
TL;DR: 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid (CAS 1212251-66-5) is a chemical compound with molecular formula C21H20N2O5S3 and molecular weight 476.05344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6,13,15-trioxo-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl)butanoic acid
Also Known As: 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid, AB00686458-01, F1734-0055, 4-[6,13,15-trioxo-9-(thiophen-2-yl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]butanoic acid, 4-(6,13,15-trioxo-3-(2-thienyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10>. 0<4,8>.0<12,16>]heptadec-4(8)-en-14-yl)butanoic acid
Technical Specifications
| Molecular Formula | C21H20N2O5S3 |
| Molecular Weight | 476.05344 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.05344 Da |
| Heavy Atoms | 31 |
| Complexity | 923.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CC=CS6)SC(=O)N5 |
| InChIKey | XEIVENHSMBTYFE-UHFFFAOYSA-N |
Chemical Property Profile of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid
Property Insights of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid. The TPSA of 183.0 Ų indicates high polarity, suggesting 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid?
The CAS number of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid is 1212251-66-5.
What is the molecular formula of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid?
The molecular formula of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid is C21H20N2O5S3.
What is the molecular weight of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid?
The molecular weight of 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid is 476.05344 g/mol.
Where can I buy 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid?
You can request a quote for 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(thiophen-2-yl)-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.