![2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/4579/457952-06-6.webp)
2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 457952-06-6) is a chemical compound with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one, 2-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-{2-[4-(2-hydroxyethyl)piperazinyl]-2-oxoethylthio}-5,6-dimethyl-3-phenyl-3-h ydrothiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H26N4O3S2 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 2.29264 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.14462 |
| Heavy Atoms | 31 |
| Complexity | 1135.1038 |
Chemical Identifiers
| CAS Number | 457952-06-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)CCO)C4=CC=CC=C4)C |
Product Overview
2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 457952-06-6), with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol. IUPAC: 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 2.29264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 457952-06-6.
What is the molecular formula of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one is C22H26N4O3S2.
What is the molecular weight of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 458.14 g/mol.
Where can I buy 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-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-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.