![3-(4-bromophenyl)-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/3510/351005-03-3.webp)
3-(4-bromophenyl)-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-(4-bromophenyl)-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 351005-03-3) is a chemical compound with molecular formula C25H21BrN2O3S2 and molecular weight 540.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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, 3-(4-bromophenyl)-6,6-dimethyl-2-phenacylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C25H21BrN2O3S2 |
|---|---|
| Molecular Weight | 540.02 g/mol |
| LogP | 6.036 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.0177 |
| Heavy Atoms | 33 |
| Complexity | 1409.8639 |
Chemical Identifiers
| CAS Number | 351005-03-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C |
Product Overview
3-(4-bromophenyl)-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 351005-03-3), with molecular formula C25H21BrN2O3S2 and molecular weight 540.02 g/mol. IUPAC: 4-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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 6.036 indicates that 3-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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 351005-03-3.
What is the molecular formula of 3-(4-bromophenyl)-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-(4-bromophenyl)-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 C25H21BrN2O3S2.
What is the molecular weight of 3-(4-bromophenyl)-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-(4-bromophenyl)-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 540.02 g/mol.
Where can I buy 3-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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.