![2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/380/380660-97-9.png)
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 380660-97-9) is a chemical compound with molecular formula C19H17BrN2O2S3 and molecular weight 479.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 1-(4-bromophenyl)-2-[(4-hydroxy-6,6-dimethyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanone
| Molecular Formula | C19H17BrN2O2S3 |
|---|---|
| Molecular Weight | 479.96 g/mol |
| LogP | 5.29 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.96356 |
| Heavy Atoms | 27 |
| Complexity | 1086.7681 |
Chemical Identifiers
| CAS Number | 380660-97-9 |
|---|---|
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)NC(=N3)SCC(=O)C4=CC=C(C=C4)Br)C |
Product Overview
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 380660-97-9), with molecular formula C19H17BrN2O2S3 and molecular weight 479.96 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 5.29 indicates that 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[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 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. Following Lipinski's Rule of Five, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 1 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 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 380660-97-9.
What is the molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C19H17BrN2O2S3.
What is the molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 479.96 g/mol.
Where can I buy 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[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 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[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.