![5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/5001/500112-48-1.webp)
5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 500112-48-1) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Also Known As: 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one, 5,6-dimethyl-2-(2-oxo-2-pyrrolidinylethylthio)-3-phenyl-3-hydrothiopheno[2,3-d ]pyrimidin-4-one
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 3.77854 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1050.5143 |
Chemical Identifiers
| CAS Number | 500112-48-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCC3)C4=CC=CC=C4)C |
Product Overview
5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 500112-48-1), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: 5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 3.77854 indicates that 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 5 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 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 500112-48-1.
What is the molecular formula of 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C20H21N3O2S2.
What is the molecular weight of 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 399.11 g/mol.
Where can I buy 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-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 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.