7-(Sulfooxy)-2H-1-benzopyran-2-one
TL;DR: 7-(Sulfooxy)-2H-1-benzopyran-2-one (CAS 7151-26-0) is a chemical compound with molecular formula C9H6O6S and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) hydrogen sulfate
Also Known As: Umbelliferone sulfate, 7-sulfooxycoumarin, 7-(Sulfooxy)coumarin, 7-Hydroxycoumarin sulfate ester, 7-hydroxycoumarin sulfate
| Molecular Formula | C9H6O6S |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.98851 |
| Heavy Atoms | 16 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 7151-26-0 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)O |
| InChIKey | LJOOSFYJELZGMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Sulfooxy)-2H-1-benzopyran-2-one (CAS 7151-26-0), with molecular formula C9H6O6S and molecular weight 241.99 g/mol. IUPAC: (2-oxochromen-7-yl) hydrogen sulfate.
Chemical Property Profile of 7-(Sulfooxy)-2H-1-benzopyran-2-one
Property Insights of 7-(Sulfooxy)-2H-1-benzopyran-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Sulfooxy)-2H-1-benzopyran-2-one. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Sulfooxy)-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 7-(Sulfooxy)-2H-1-benzopyran-2-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 7-(Sulfooxy)-2H-1-benzopyran-2-one?
The CAS number of 7-(Sulfooxy)-2H-1-benzopyran-2-one is 7151-26-0.
What is the molecular formula of 7-(Sulfooxy)-2H-1-benzopyran-2-one?
The molecular formula of 7-(Sulfooxy)-2H-1-benzopyran-2-one is C9H6O6S.
What is the molecular weight of 7-(Sulfooxy)-2H-1-benzopyran-2-one?
The molecular weight of 7-(Sulfooxy)-2H-1-benzopyran-2-one is 241.99 g/mol.
Where can I buy 7-(Sulfooxy)-2H-1-benzopyran-2-one?
You can request a quote for 7-(Sulfooxy)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Sulfooxy)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Sulfooxy)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.