![2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid structure](/static/products/1025/1025086-18-3.webp)
2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid
TL;DR: 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid (CAS 1025086-18-3) 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.
2-[9-(4-methoxyphenyl)-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]propanoic acid
Also Known As: 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid, AB00675743-01, F1734-0029, 2-[9-(4-methoxyphenyl)-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]propanoic acid, 2-[10-(4-methoxyphenyl)-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]propanoic acid
| Molecular Formula | C23H22N2O6S2 |
|---|---|
| Molecular Weight | 486.09 g/mol |
| LogP | 2.3914 |
| Topological Polar Surface Area | 116.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.09192 |
| Heavy Atoms | 33 |
| Complexity | 1236.3215 |
Chemical Identifiers
| CAS Number | 1025086-18-3 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CC=C(C=C6)OC |
Product Overview
2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid (CAS 1025086-18-3), with molecular formula C23H22N2O6S2 and molecular weight 486.09 g/mol. IUPAC: 2-[9-(4-methoxyphenyl)-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]propanoic acid.
Chemical Property Profile of 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid
Property Insights of 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid
The XLogP value of 2.3914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid. The TPSA of 116.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid. Following Lipinski's Rule of Five, 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid has 2 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 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid?
The CAS number of 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid is 1025086-18-3.
What is the molecular formula of 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid?
The molecular formula of 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid is C23H22N2O6S2.
What is the molecular weight of 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid?
The molecular weight of 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid is 486.09 g/mol.
Where can I buy 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid?
You can request a quote for 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4aR,5R,5aR,8aR,9S)-10-(4-methoxyphenyl)-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)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.