![3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one structure](/static/products/866/866873-06-5.png)
3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
TL;DR: 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (CAS 866873-06-5) is a chemical compound with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: 3-(4-methylbenzyl)-2-thioxo-2,3-dihydrobenzofuro[3,2-d]pyrimidin-4(1H)-one, 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one, 5-[(4-methylphenyl)methyl]-4-sulfanylidene-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),10,12-tetraen-6-one, 3-(4-methylbenzyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one, 3-thioxo-2-[(p-tolyl)methyl]-9-oxa-2,4-diaza-3,4-dihydro-1(2H)-fluorenone
| Molecular Formula | C18H14N2O2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 4.16201 |
| Topological Polar Surface Area | 50.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0776 |
| Heavy Atoms | 23 |
| Complexity | 1133.8188 |
Chemical Identifiers
| CAS Number | 866873-06-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S |
Product Overview
3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (CAS 866873-06-5), with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol. IUPAC: 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Property Insights of 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
The XLogP value of 4.16201 indicates that 3-[(4-methylphenyl)methyl]-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)methyl]-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)methyl]-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)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The CAS number of 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is 866873-06-5.
What is the molecular formula of 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The molecular formula of 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is C18H14N2O2S.
What is the molecular weight of 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The molecular weight of 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is 322.08 g/mol.
Where can I buy 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
You can request a quote for 3-[(4-methylphenyl)methyl]-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)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methylphenyl)methyl]-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.