![1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one structure](/static/products/3142/314261-56-8.webp)
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one
TL;DR: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one (CAS 314261-56-8) is a chemical compound with molecular formula C19H16N2O3S2 and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone, 1-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-(5,6,7-trihydrocyclopenta[1,2-d]pyrimi dino[4,5-b]thiophen-4-ylthio)ethan-1-one
| Molecular Formula | C19H16N2O3S2 |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 3.9262 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.06024 |
| Heavy Atoms | 26 |
| Complexity | 1015.432 |
Chemical Identifiers
| CAS Number | 314261-56-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one (CAS 314261-56-8), with molecular formula C19H16N2O3S2 and molecular weight 384.06 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one
Property Insights of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one
The XLogP value of 3.9262 indicates that 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one. Following Lipinski's Rule of Five, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one has 0 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 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one?
The CAS number of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one is 314261-56-8.
What is the molecular formula of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one?
The molecular formula of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one is C19H16N2O3S2.
What is the molecular weight of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one?
The molecular weight of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one is 384.06 g/mol.
Where can I buy 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one?
You can request a quote for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.