![3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one structure](/static/products/851/851409-91-1.png)
3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
TL;DR: 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one (CAS 851409-91-1) is a chemical compound with molecular formula C22H28N4O3S2 and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 3-(2-methoxyethyl)-6-methyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-(2-methoxyethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C22H28N4O3S2 |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 2.3673 |
| Topological Polar Surface Area | 67.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.16028 |
| Heavy Atoms | 31 |
| Complexity | 974.71155 |
Chemical Identifiers
| CAS Number | 851409-91-1 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CCOC |
Product Overview
3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one (CAS 851409-91-1), with molecular formula C22H28N4O3S2 and molecular weight 460.16 g/mol. IUPAC: 3-(2-methoxyethyl)-6-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
Property Insights of 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
The XLogP value of 2.3673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one. The TPSA of 67.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one has 0 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 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The CAS number of 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is 851409-91-1.
What is the molecular formula of 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The molecular formula of 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is C22H28N4O3S2.
What is the molecular weight of 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The molecular weight of 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is 460.16 g/mol.
Where can I buy 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
You can request a quote for 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.