2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid
TL;DR: 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid (CAS 353515-90-9) is a chemical compound with molecular formula C13H8O9S and molecular weight 339.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid
Also Known As: 2-(6-oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid, AN-652/14870005, 2-((2-Oxo-2H-pyran-5-carbonyl)oxy)-5-sulfobenzoic acid, 2-{[(2-oxo-2H-pyran-5-yl)carbonyl]oxy}-5-sulfobenzoic acid
| Molecular Formula | C13H8O9S |
|---|---|
| Molecular Weight | 339.99 g/mol |
| LogP | 0.8039 |
| Topological Polar Surface Area | 148.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.9889 |
| Heavy Atoms | 23 |
| Complexity | 919.6627 |
Chemical Identifiers
| CAS Number | 353515-90-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)OC(=O)C2=COC(=O)C=C2 |
Product Overview
2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid (CAS 353515-90-9), with molecular formula C13H8O9S and molecular weight 339.99 g/mol. IUPAC: 2-(6-oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid.
Chemical Property Profile of 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid
Property Insights of 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid
The XLogP value of 0.8039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid. The TPSA of 148.18 Ų indicates high polarity, suggesting 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid 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 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid?
The CAS number of 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid is 353515-90-9.
What is the molecular formula of 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid?
The molecular formula of 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid is C13H8O9S.
What is the molecular weight of 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid?
The molecular weight of 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid is 339.99 g/mol.
Where can I buy 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid?
You can request a quote for 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.