![6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/879/879476-93-4.png)
6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 879476-93-4) is a chemical compound with molecular formula C25H21N3O5S2 and molecular weight 507.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H21N3O5S2 |
|---|---|
| Molecular Weight | 507.09 g/mol |
| LogP | 5.1817 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.09225 |
| Heavy Atoms | 35 |
| Complexity | 1508.3898 |
Chemical Identifiers
| CAS Number | 879476-93-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)C |
Product Overview
6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 879476-93-4), with molecular formula C25H21N3O5S2 and molecular weight 507.09 g/mol. IUPAC: 12,12-dimethyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 5.1817 indicates that 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. Following Lipinski's Rule of Five, 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 879476-93-4.
What is the molecular formula of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C25H21N3O5S2.
What is the molecular weight of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 507.09 g/mol.
Where can I buy 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)-3-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.