![3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/3792/379237-00-0.webp)
3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 379237-00-0) is a chemical compound with molecular formula C20H16N2OS2 and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-(4-methylphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: SDCCGSBI-0659465.P001, 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, AF-399/40862807, 3-benzyl-2-thioxo-5-(p-tolyl)-2,3-dihydrothieno[2,, 3-benzyl-5-(4-methylphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H16N2OS2 |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 5.14431 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.0704 |
| Heavy Atoms | 25 |
| Complexity | 1152.4934 |
Chemical Identifiers
| CAS Number | 379237-00-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4 |
Product Overview
3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 379237-00-0), with molecular formula C20H16N2OS2 and molecular weight 364.07 g/mol. IUPAC: 3-benzyl-5-(4-methylphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 5.14431 indicates that 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 379237-00-0.
What is the molecular formula of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is C20H16N2OS2.
What is the molecular weight of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 364.07 g/mol.
Where can I buy 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-(4-methylphenyl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.