![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide structure](/static/products/846/846592-73-2.png)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide (CAS 846592-73-2) is a chemical compound with molecular formula C20H15N3O4S and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide, 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-benzo[d]pyrimidino[5,6-b]furan-4-ylthi oacetamide
| Molecular Formula | C20H15N3O4S |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.07834 |
| Heavy Atoms | 28 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 846592-73-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54 |
| InChIKey | PBNQCIAKDJIDJL-UHFFFAOYSA-N |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide (CAS 846592-73-2), with molecular formula C20H15N3O4S and molecular weight 393.08 g/mol. IUPAC: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide
The XLogP value of 3.5 indicates that N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide has 1 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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide is 846592-73-2.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide is C20H15N3O4S.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide is 393.08 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.