![2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/7902/790239-66-6.webp)
2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 790239-66-6) is a chemical compound with molecular formula C24H28N4O4S3 and molecular weight 532.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H28N4O4S3 |
|---|---|
| Molecular Weight | 532.13 g/mol |
| LogP | 3.10544 |
| Topological Polar Surface Area | 103.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.12726 |
| Heavy Atoms | 35 |
| Complexity | 1453.4103 |
Chemical Identifiers
| CAS Number | 790239-66-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)C |
Product Overview
2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one (CAS 790239-66-6), with molecular formula C24H28N4O4S3 and molecular weight 532.13 g/mol. IUPAC: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 3.10544 indicates that 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one has 1 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-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is 790239-66-6.
What is the molecular formula of 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is C24H28N4O4S3.
What is the molecular weight of 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one is 532.13 g/mol.
Where can I buy 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-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-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-[4-[(2,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.