![10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one structure](/static/products/7012/701246-29-9.webp)
10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
TL;DR: 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one (CAS 701246-29-9) is a chemical compound with molecular formula C23H23N3O2S2 and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-11-(2-methylprop-2-enyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-(2-methylallyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 10-[2-(1-indolinyl)-2-oxoethylthio]-11-(2-methyl-2-propenyl)-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-12-one, 10-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-11-(2-methylprop-2-enyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-3-(2-methyl-2-propen-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H23N3O2S2 |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 4.2042 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.12317 |
| Heavy Atoms | 30 |
| Complexity | 1241.2095 |
Chemical Identifiers
| CAS Number | 701246-29-9 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)SC5=C2CCC5 |
Product Overview
10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one (CAS 701246-29-9), with molecular formula C23H23N3O2S2 and molecular weight 437.12 g/mol. IUPAC: 10-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-11-(2-methylprop-2-enyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
Property Insights of 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one
The XLogP value of 4.2042 indicates that 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one has 0 hydrogen bond donor(s) and 5 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 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
The CAS number of 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one is 701246-29-9.
What is the molecular formula of 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
The molecular formula of 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one is C23H23N3O2S2.
What is the molecular weight of 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
The molecular weight of 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one is 437.12 g/mol.
Where can I buy 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
You can request a quote for 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 10-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-11-(2-methylprop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.