![3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/3005/300569-52-2.webp)
3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 300569-52-2) is a chemical compound with molecular formula C17H16N2OS2 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: VU0618051-1, F3394-0008, 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-(4-methylphenyl)-2-(methylsulfanyl)-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C17H16N2OS2 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 4.34132 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0704 |
| Heavy Atoms | 22 |
| Complexity | 891.4032 |
Chemical Identifiers
| CAS Number | 300569-52-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC)CC=C |
Product Overview
3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 300569-52-2), with molecular formula C17H16N2OS2 and molecular weight 328.07 g/mol. IUPAC: 5-(4-methylphenyl)-2-methylsulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.34132 indicates that 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[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 34.89 Ų, 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one has 0 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 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one is 300569-52-2.
What is the molecular formula of 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one is C17H16N2OS2.
What is the molecular weight of 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one is 328.07 g/mol.
Where can I buy 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[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 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-(methylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.