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2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 448230-52-2) is a chemical compound with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 2-methylsulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one, 2-(Methylthio)-5-phenylthieno[2,3-d]pyrimidin-4-ol, AE-848/12561228, 2-(methylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C13H10N2OS2 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.3735 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.02347 |
| Heavy Atoms | 18 |
| Complexity | 746.5223 |
Chemical Identifiers
| CAS Number | 448230-52-2 |
|---|---|
| SMILES | CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1 |
Product Overview
2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 448230-52-2), with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol. IUPAC: 2-methylsulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.3735 indicates that 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 4 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-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 448230-52-2.
What is the molecular formula of 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is C13H10N2OS2.
What is the molecular weight of 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one is 274.02 g/mol.
Where can I buy 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(methylthio)-5-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-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylthio)-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.