7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate
TL;DR: 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate (CAS 879956-71-5) is a chemical compound with molecular formula C19H12O6S and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] furan-2-carboxylate
Also Known As: 7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate, [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] furan-2-carboxylate, 7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl furan-2-carboxylate, 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate, 7-(3-methoxyphenyl)-2-oxobenzo[d][1,3]oxathiol-5-yl furan-2-carboxylate
| Molecular Formula | C19H12O6S |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 4.3423 |
| Topological Polar Surface Area | 78.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.03546 |
| Heavy Atoms | 26 |
| Complexity | 1136.5184 |
Chemical Identifiers
| CAS Number | 879956-71-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=C3C(=CC(=C2)OC(=O)C4=CC=CO4)SC(=O)O3 |
Product Overview
7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate (CAS 879956-71-5), with molecular formula C19H12O6S and molecular weight 368.04 g/mol. IUPAC: [7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] furan-2-carboxylate.
Chemical Property Profile of 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate
Property Insights of 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate
The XLogP value of 4.3423 indicates that 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate. Following Lipinski's Rule of Five, 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate has 0 hydrogen bond donor(s) and 7 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 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate?
The CAS number of 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate is 879956-71-5.
What is the molecular formula of 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate?
The molecular formula of 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate is C19H12O6S.
What is the molecular weight of 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate?
The molecular weight of 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate is 368.04 g/mol.
Where can I buy 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate?
You can request a quote for 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.