![2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione structure](/static/products/3046/304684-45-5.webp)
2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
TL;DR: 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 304684-45-5) is a chemical compound with molecular formula C19H15N3O2S2 and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethyl]isoindole-1,3-dione
Also Known As: 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione, 2-(2-(5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-4-ylthio)ethyl) benzo[c]azoline-1,3-dione, 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
| Molecular Formula | C19H15N3O2S2 |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 3.5683 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.06058 |
| Heavy Atoms | 26 |
| Complexity | 1025.1189 |
Chemical Identifiers
| CAS Number | 304684-45-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCCN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 304684-45-5), with molecular formula C19H15N3O2S2 and molecular weight 381.06 g/mol. IUPAC: 2-[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
Property Insights of 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
The XLogP value of 3.5683 indicates that 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione has 0 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 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The CAS number of 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione is 304684-45-5.
What is the molecular formula of 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The molecular formula of 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione is C19H15N3O2S2.
What is the molecular weight of 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The molecular weight of 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione is 381.06 g/mol.
Where can I buy 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
You can request a quote for 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.