![2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione structure](/static/products/3142/314244-65-0.webp)
2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
TL;DR: 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 314244-65-0) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]ethyl]isoindole-1,3-dione
Also Known As: 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione, 2-[2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-2-ylthio)ethyl]benzo[c]azoline-1,3-dione, 2-{2-[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]ethyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 3.521 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1239.6038 |
Chemical Identifiers
| CAS Number | 314244-65-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCCN3C(=O)C4=CC=CC=C4C3=O)SC5=C2CCC5 |
Product Overview
2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 314244-65-0), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: 2-[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
Property Insights of 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione
The XLogP value of 3.521 indicates that 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}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 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}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-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The CAS number of 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione is 314244-65-0.
What is the molecular formula of 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The molecular formula of 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione is C22H19N3O3S2.
What is the molecular weight of 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
The molecular weight of 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione is 437.09 g/mol.
Where can I buy 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
You can request a quote for 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}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-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.