3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one
TL;DR: 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one (CAS 72430-96-7) is a chemical compound with molecular formula C16H8O6S and molecular weight 328.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-7-(3-hydroxy-2-oxochromen-4-yl)-1,3-benzoxathiol-2-one
Also Known As: 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one, 5-hydroxy-7-(3-hydroxy-2-oxochromen-4-yl)-1,3-benzoxathiol-2-one, 3-hydroxy-4-(5-hydroxy-2-oxo-2H-1,3-benzoxathiol-7-yl)-2H-chromen-2-one, 3-Hydroxy-4-(5-hydroxy-2-oxobenzo[d][1,3]oxathiol-7-yl)-2H-chromen-2-one, 5-hydroxy-7-(3-hydroxy-2-oxochromen-4-yl)-1,3-benzoxathiol-2
| Molecular Formula | C16H8O6S |
|---|---|
| Molecular Weight | 328.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.00415 |
| Heavy Atoms | 23 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 72430-96-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)O)C3=C4C(=CC(=C3)O)SC(=O)O4 |
| InChIKey | ACDAKXSLYROHEG-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one (CAS 72430-96-7), with molecular formula C16H8O6S and molecular weight 328.00 g/mol. IUPAC: 5-hydroxy-7-(3-hydroxy-2-oxochromen-4-yl)-1,3-benzoxathiol-2-one.
Chemical Property Profile of 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one
Property Insights of 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one has 2 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 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one?
The CAS number of 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one is 72430-96-7.
What is the molecular formula of 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one?
The molecular formula of 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one is C16H8O6S.
What is the molecular weight of 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one?
The molecular weight of 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one is 328.00 g/mol.
Where can I buy 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one?
You can request a quote for 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.