![3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one structure](/static/products/892/892299-98-8.png)
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
TL;DR: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (CAS 892299-98-8) is a chemical compound with molecular formula C16H11N3O2S and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: F3165-0454, 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one, 3-(pyridin-3-ylmethyl)-2-thioxo-2,3-dihydrobenzofuro[3,2-d]pyrimidin-4(1H)-one, 5-[(pyridin-3-yl)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-(3-PYRIDYLMETHYL)-2-THIOXO-2,3-DIHYDRO[1]BENZOFURO[3,2-D]PYRIMIDIN-4(1H)-ONE
| Molecular Formula | C16H11N3O2S |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 3.24859 |
| Topological Polar Surface Area | 63.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0572 |
| Heavy Atoms | 22 |
| Complexity | 1093.2286 |
Chemical Identifiers
| CAS Number | 892299-98-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C(=S)N3)CC4=CN=CC=C4 |
Product Overview
3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one (CAS 892299-98-8), with molecular formula C16H11N3O2S and molecular weight 309.06 g/mol. IUPAC: 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Property Insights of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
The XLogP value of 3.24859 indicates that 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one has 1 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-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The CAS number of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is 892299-98-8.
What is the molecular formula of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The molecular formula of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is C16H11N3O2S.
What is the molecular weight of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The molecular weight of 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one is 309.06 g/mol.
Where can I buy 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
You can request a quote for 3-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(pyridin-3-ylmethyl)-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.