![3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one structure](/static/products/121/121996-97-2.png)
3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
TL;DR: 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (CAS 121996-97-2) is a chemical compound with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one, 3-(p-tolyl)-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-4-one, 5-(4-methylphenyl)-4-sulfanylidene-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),10,12-tetraen-6-one, 2-thioxo-3-(p-tolyl)-2,3-dihydrobenzofuro[3,2-d]pyrimidin-4(1H)-one, 3-(4-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
| Molecular Formula | C17H12N2O2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 4.10291 |
| Topological Polar Surface Area | 50.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.06195 |
| Heavy Atoms | 22 |
| Complexity | 1117.5198 |
Chemical Identifiers
| CAS Number | 121996-97-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S |
Product Overview
3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (CAS 121996-97-2), with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol. IUPAC: 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Property Insights of 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
The XLogP value of 4.10291 indicates that 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-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 50.93 Ų, 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 3 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-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The CAS number of 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is 121996-97-2.
What is the molecular formula of 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The molecular formula of 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is C17H12N2O2S.
What is the molecular weight of 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The molecular weight of 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is 308.06 g/mol.
Where can I buy 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
You can request a quote for 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[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-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.