![3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one structure](/static/products/1219/121996-96-1.webp)
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
TL;DR: 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one (CAS 121996-96-1) is a chemical compound with molecular formula C16H10N2O2S and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv3_008293, IDI1_026203, 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one, 3-phenyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one, 3-phenyl-2-thioxo-1H-benzofuro[3,2-d]pyrimidin-4-one
| Molecular Formula | C16H10N2O2S |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 3.79449 |
| Topological Polar Surface Area | 50.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.0463 |
| Heavy Atoms | 21 |
| Complexity | 1074.2738 |
Chemical Identifiers
| CAS Number | 121996-96-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S |
Product Overview
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one (CAS 121996-96-1), with molecular formula C16H10N2O2S and molecular weight 294.05 g/mol. IUPAC: 3-phenyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
Property Insights of 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
The XLogP value of 3.79449 indicates that 3-phenyl-2-sulfanylidene-1H-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-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-2-sulfanylidene-1H-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-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one?
The CAS number of 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one is 121996-96-1.
What is the molecular formula of 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one?
The molecular formula of 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one is C16H10N2O2S.
What is the molecular weight of 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one?
The molecular weight of 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one is 294.05 g/mol.
Where can I buy 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one?
You can request a quote for 3-phenyl-2-sulfanylidene-1H-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-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.