![2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide structure](/static/products/866/866894-62-4.png)
2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
TL;DR: 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide (CAS 866894-62-4) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(2-methoxyethyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide, 2-((3-(2-methoxyethyl)-4-oxo-3,4-dihydrobenzofuro[3,2-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide, 2-[[3-(2-methoxyethyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide, 2-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 3.82832 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1278.5939 |
Chemical Identifiers
| CAS Number | 866894-62-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCOC)OC4=CC=CC=C43 |
Product Overview
2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide (CAS 866894-62-4), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: 2-[[3-(2-methoxyethyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Property Insights of 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
The XLogP value of 3.82832 indicates that 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide has 1 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-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
The CAS number of 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide is 866894-62-4.
What is the molecular formula of 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
The molecular formula of 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide is C22H21N3O4S.
What is the molecular weight of 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
The molecular weight of 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide is 423.13 g/mol.
Where can I buy 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
You can request a quote for 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(2-methoxyethyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.