![2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one structure](/static/products/7309/730986-10-4.webp)
2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one
TL;DR: 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one (CAS 730986-10-4) is a chemical compound with molecular formula C13H9NO4S and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-hydroxypyran-4-one
Also Known As: 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one, SDCCGSBI-0662059.P001, 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-hydroxypyran-4-one, F2158-2274
| Molecular Formula | C13H9NO4S |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 2.7789 |
| Topological Polar Surface Area | 76.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.02524 |
| Heavy Atoms | 19 |
| Complexity | 744.4093 |
Chemical Identifiers
| CAS Number | 730986-10-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=O)C(=CO3)O |
Product Overview
2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one (CAS 730986-10-4), with molecular formula C13H9NO4S and molecular weight 275.03 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-hydroxypyran-4-one.
Chemical Property Profile of 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one
Property Insights of 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one
The XLogP value of 2.7789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one. The TPSA of 76.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one. Following Lipinski's Rule of Five, 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one has 1 hydrogen bond donor(s) and 6 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 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one?
The CAS number of 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one is 730986-10-4.
What is the molecular formula of 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one?
The molecular formula of 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one is C13H9NO4S.
What is the molecular weight of 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one?
The molecular weight of 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one is 275.03 g/mol.
Where can I buy 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one?
You can request a quote for 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d]oxazol-2-ylthio)methyl)-5-hydroxy-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.