![2-((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)propanoic acid structure](/static/products/1025/1025013-52-8.webp)
2-((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)propanoic acid
TL;DR: 2-((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)propanoic acid (CAS 1025013-52-8) is a chemical compound with molecular formula C20H18N2O5S3 and molecular weight 462.03778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(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)propanoic acid
Also Known As: 2-((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)propanoic acid, F1734-0057, 2-[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]propanoic acid, 2-(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)propanoic acid, 2-(6,13,15-trioxo-9-(2-thienyl)-3,7-dithia-5,14-diazapentacyclo[9.5.1.0<2,10>. 0<4,8>.0<12,16>]heptadec-4(8)-en-14-yl)propanoic acid
Technical Specifications
| Molecular Formula | C20H18N2O5S3 |
| Molecular Weight | 462.03778 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.03778 Da |
| Heavy Atoms | 30 |
| Complexity | 922.0 |
| SMILES | CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CC=CS6 |
| InChIKey | ULMQOLXBKPUMKD-UHFFFAOYSA-N |
Chemical Property Profile of 2-((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)propanoic acid
Property Insights of 2-((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)propanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((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)propanoic acid. The TPSA of 183.0 Ų indicates high polarity, suggesting 2-((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)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((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)propanoic 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 2-((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)propanoic acid?
The CAS number of 2-((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)propanoic acid is 1025013-52-8.
What is the molecular formula of 2-((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)propanoic acid?
The molecular formula of 2-((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)propanoic acid is C20H18N2O5S3.
What is the molecular weight of 2-((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)propanoic acid?
The molecular weight of 2-((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)propanoic acid is 462.03778 g/mol.
Where can I buy 2-((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)propanoic acid?
You can request a quote for 2-((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)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((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)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((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)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.