![2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone structure](/static/products/578/578757-75-2.png)
2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone
TL;DR: 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 578757-75-2) is a chemical compound with molecular formula C26H23ClN2O2S3 and molecular weight 526.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone, 2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
| Molecular Formula | C26H23ClN2O2S3 |
|---|---|
| Molecular Weight | 526.06 g/mol |
| LogP | 7.4633 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.06104 |
| Heavy Atoms | 34 |
| Complexity | 1337.927 |
Chemical Identifiers
| CAS Number | 578757-75-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SCC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Cl)C |
Product Overview
2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone (CAS 578757-75-2), with molecular formula C26H23ClN2O2S3 and molecular weight 526.06 g/mol. IUPAC: 2-[(5-benzylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone
Property Insights of 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone
The XLogP value of 7.4633 indicates that 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)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, 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)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 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone?
The CAS number of 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone is 578757-75-2.
What is the molecular formula of 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone is C26H23ClN2O2S3.
What is the molecular weight of 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone is 526.06 g/mol.
Where can I buy 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(benzylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.