![2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide structure](/static/products/866/866873-70-3.png)
2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide
TL;DR: 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide (CAS 866873-70-3) is a chemical compound with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide, F1607-0443, 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenylacetamide, 2-((3-(4-methoxybenzyl)-4-oxo-3,4-dihydrobenzofuro[3,2-d]pyrimidin-2-yl)thio)-N-phenylacetamide, 2-{[3-(4-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C26H21N3O4S |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.9304 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.12527 |
| Heavy Atoms | 34 |
| Complexity | 1525.5854 |
Chemical Identifiers
| CAS Number | 866873-70-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4O3)N=C2SCC(=O)NC5=CC=CC=C5 |
Product Overview
2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide (CAS 866873-70-3), with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol. IUPAC: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide
Property Insights of 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide
The XLogP value of 4.9304 indicates that 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide 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-[(4-methoxyphenyl)methyl]-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-phenylacetamide. Following Lipinski's Rule of Five, 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide 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-[(4-methoxyphenyl)methyl]-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-phenylacetamide?
The CAS number of 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide is 866873-70-3.
What is the molecular formula of 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide?
The molecular formula of 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide is C26H21N3O4S.
What is the molecular weight of 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide?
The molecular weight of 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide is 471.13 g/mol.
Where can I buy 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide?
You can request a quote for 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(4-methoxyphenyl)methyl]-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-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.