![3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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/1177/1177873-69-6.webp)
3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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: 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 1177873-69-6) is a chemical compound with molecular formula C21H19N3O5S2 and molecular weight 457.0766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(6,13,15-trioxo-9-pyridin-3-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: 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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, AB00686457-01, F1734-0046, 3-[6,13,15-trioxo-9-(pyridin-3-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, 3-(6,13,15-trioxo-9-(3-pyridyl)-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 | C21H19N3O5S2 |
| Molecular Weight | 457.0766 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.0766 Da |
| Heavy Atoms | 31 |
| Complexity | 923.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)CCC(=O)O)SC5=C(C3C6=CN=CC=C6)SC(=O)N5 |
| InChIKey | UEKYUIWOLDXTBV-UHFFFAOYSA-N |
Chemical Property Profile of 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 167.0 Ų indicates high polarity, suggesting 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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, 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 1177873-69-6.
What is the molecular formula of 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 C21H19N3O5S2.
What is the molecular weight of 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 457.0766 g/mol.
Where can I buy 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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 3-((4aR,5R,5aR,8aR,9S)-2,6,8-trioxo-10-(pyridin-3-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.