![3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione structure](/static/products/896/896825-52-8.png)
3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione
TL;DR: 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione (CAS 896825-52-8) is a chemical compound with molecular formula C24H22N2O4S and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-6-phenacyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione, 3-(2-furanylmethyl)-1-phenacyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-dione, 3-(2-furfuryl)-1-phenacyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-quinone, 3-(furan-2-ylmethyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 3-(furan-2-ylmethyl)-1-(2-oxo-2-phenylethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C24H22N2O4S |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 4.0178 |
| Topological Polar Surface Area | 74.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.13004 |
| Heavy Atoms | 31 |
| Complexity | 1360.8376 |
Chemical Identifiers
| CAS Number | 896825-52-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC(=O)C4=CC=CC=C4)CC5=CC=CO5 |
Product Overview
3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione (CAS 896825-52-8), with molecular formula C24H22N2O4S and molecular weight 434.13 g/mol. IUPAC: 4-(furan-2-ylmethyl)-6-phenacyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione
Property Insights of 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione
The XLogP value of 4.0178 indicates that 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione. Following Lipinski's Rule of Five, 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione has 0 hydrogen bond donor(s) and 5 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 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione?
The CAS number of 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione is 896825-52-8.
What is the molecular formula of 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione?
The molecular formula of 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione is C24H22N2O4S.
What is the molecular weight of 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione?
The molecular weight of 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione is 434.13 g/mol.
Where can I buy 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione?
You can request a quote for 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Furan-2-ylmethyl-1-(2-oxo-2-phenyl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene-2 ,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.