![3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/330/330181-82-3.png)
3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 330181-82-3) is a chemical compound with molecular formula C26H24N2O3S2 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-12,12-dimethyl-5-phenacylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-benzyl-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C26H24N2O3S2 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 5.3326 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.12283 |
| Heavy Atoms | 33 |
| Complexity | 1375.6868 |
Chemical Identifiers
| CAS Number | 330181-82-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5)C |
Product Overview
3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 330181-82-3), with molecular formula C26H24N2O3S2 and molecular weight 476.12 g/mol. IUPAC: 4-benzyl-12,12-dimethyl-5-phenacylsulfanyl-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 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 5.3326 indicates that 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. Following Lipinski's Rule of Five, 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 330181-82-3.
What is the molecular formula of 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C26H24N2O3S2.
What is the molecular weight of 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 476.12 g/mol.
Where can I buy 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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 3-benzyl-6,6-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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.