![4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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/1177/1177786-09-2.webp)
4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 1177786-09-2) is a chemical compound with molecular formula C23H22N2O6S2 and molecular weight 486.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-(4-hydroxyphenyl)-6,13,15-trioxo-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)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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, AB00686454-01, F1734-0035, 4-[9-(4-hydroxyphenyl)-6,13,15-trioxo-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-[10-(4-hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]butanoic acid
| Molecular Formula | C23H22N2O6S2 |
|---|---|
| Molecular Weight | 486.09 g/mol |
| LogP | 2.4801 |
| Topological Polar Surface Area | 127.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.09192 |
| Heavy Atoms | 33 |
| Complexity | 1220.285 |
Chemical Identifiers
| CAS Number | 1177786-09-2 |
|---|---|
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CC=C(C=C6)O)SC(=O)N5 |
Product Overview
4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 1177786-09-2), with molecular formula C23H22N2O6S2 and molecular weight 486.09 g/mol. IUPAC: 4-[9-(4-hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]butanoic acid.
Chemical Property Profile of 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 2.4801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 127.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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. Following Lipinski's Rule of Five, 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 1177786-09-2.
What is the molecular formula of 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 C23H22N2O6S2.
What is the molecular weight of 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 486.09 g/mol.
Where can I buy 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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, KEHONG BIO provides custom synthesis services for 4-((4aR,5R,5aR,8aR,9S)-10-(4-hydroxyphenyl)-2,6,8-trioxo-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.