![1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone structure](/static/products/799/799795-06-5.png)
1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone
TL;DR: 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone (CAS 799795-06-5) is a chemical compound with molecular formula C21H21BrN2O2S3 and molecular weight 507.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(12-ethyl-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, 1-(4-bromophenyl)-2-{[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanone
| Molecular Formula | C21H21BrN2O2S3 |
|---|---|
| Molecular Weight | 507.99 g/mol |
| LogP | 6.3921 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.99484 |
| Heavy Atoms | 29 |
| Complexity | 1067.9686 |
Chemical Identifiers
| CAS Number | 799795-06-5 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC(=O)C4=CC=C(C=C4)Br)C |
Product Overview
1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone (CAS 799795-06-5), with molecular formula C21H21BrN2O2S3 and molecular weight 507.99 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(12-ethyl-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone
Property Insights of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone
The XLogP value of 6.3921 indicates that 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone?
The CAS number of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone is 799795-06-5.
What is the molecular formula of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone?
The molecular formula of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone is C21H21BrN2O2S3.
What is the molecular weight of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone?
The molecular weight of 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone is 507.99 g/mol.
Where can I buy 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone?
You can request a quote for 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-2-((6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.