![2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide structure](/static/products/850/850781-03-2.png)
2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
TL;DR: 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide (CAS 850781-03-2) is a chemical compound with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(furan-2-ylmethyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide, 2-((3-(furan-2-ylmethyl)-4-oxo-3,4-dihydrobenzo[4,5]thieno[3,2-d]pyrimidin-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[[3-(furan-2-ylmethyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide, 2-{[3-(2-furylmethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamide, N-[(perhydro-2-furyl)methyl](2-furfuryl-1-oxo-9-thia-2,4-diaza-1,2-dihydro-3-fluorenylthio)acetamide
| Molecular Formula | C22H21N3O4S2 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 3.6398 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.09735 |
| Heavy Atoms | 31 |
| Complexity | 1273.3867 |
Chemical Identifiers
| CAS Number | 850781-03-2 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)SC5=CC=CC=C53 |
Product Overview
2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide (CAS 850781-03-2), with molecular formula C22H21N3O4S2 and molecular weight 455.10 g/mol. IUPAC: 2-[[3-(furan-2-ylmethyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
Property Insights of 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
The XLogP value of 3.6398 indicates that 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]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-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide. Following Lipinski's Rule of Five, 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]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 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide?
The CAS number of 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide is 850781-03-2.
What is the molecular formula of 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide?
The molecular formula of 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide is C22H21N3O4S2.
What is the molecular weight of 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide?
The molecular weight of 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide is 455.10 g/mol.
Where can I buy 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide?
You can request a quote for 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]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-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(furan-2-yl)methyl]-6-oxo-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.