![(4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione structure](/static/products/1212/1212185-07-3.webp)
(4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione
TL;DR: (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione (CAS 1212185-07-3) is a chemical compound with molecular formula C25H21N3O3S2 and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(4-methylphenyl)-9-pyridin-3-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
Also Known As: (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione, F1734-0105, 14-(4-methylphenyl)-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)-ene-6,13,15-trione, 14-(4-methylphenyl)-3-(3-pyridyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10 >.0<4,8>.0<12,16>]heptadec-4(8)-ene-6,13,15-trione, 14-(4-methylphenyl)-9-pyridin-3-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
| Molecular Formula | C25H21N3O3S2 |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 3.81772 |
| Topological Polar Surface Area | 83.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 475.10245 |
| Heavy Atoms | 33 |
| Complexity | 1349.2217 |
Chemical Identifiers
| CAS Number | 1212185-07-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(C6=C(S5)NC(=O)S6)C7=CN=CC=C7 |
Product Overview
(4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione (CAS 1212185-07-3), with molecular formula C25H21N3O3S2 and molecular weight 475.10 g/mol. IUPAC: 14-(4-methylphenyl)-9-pyridin-3-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione.
Chemical Property Profile of (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione
Property Insights of (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione
The XLogP value of 3.81772 indicates that (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione. Following Lipinski's Rule of Five, (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione has 1 hydrogen bond donor(s) and 6 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 (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?
The CAS number of (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is 1212185-07-3.
What is the molecular formula of (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?
The molecular formula of (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is C25H21N3O3S2.
What is the molecular weight of (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?
The molecular weight of (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione is 475.10 g/mol.
Where can I buy (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?
You can request a quote for (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (4aR,5R,5aR,8aR,9S)-10-(pyridin-3-yl)-7-(p-tolyl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.