![3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid structure](/static/products/3304/330447-31-9.webp)
3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid
TL;DR: 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid (CAS 330447-31-9) is a chemical compound with molecular formula C15H8O7S and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]benzoic acid
Also Known As: BAS 00431302, AB00074834-01, 3-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]benzoic acid, 3-[(1,3-dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid, 3-((1,3-dioxo-1,3-dihydroisobenzofuran-5-yl)sulfonyl)benzoic acid
| Molecular Formula | C15H8O7S |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 1.5282 |
| Topological Polar Surface Area | 114.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.99908 |
| Heavy Atoms | 23 |
| Complexity | 973.06995 |
Chemical Identifiers
| CAS Number | 330447-31-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)OC3=O)C(=O)O |
Product Overview
3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid (CAS 330447-31-9), with molecular formula C15H8O7S and molecular weight 332.00 g/mol. IUPAC: 3-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]benzoic acid.
Chemical Property Profile of 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid
Property Insights of 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid
The XLogP value of 1.5282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid. The TPSA of 114.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid 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 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid?
The CAS number of 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid is 330447-31-9.
What is the molecular formula of 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid?
The molecular formula of 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid is C15H8O7S.
What is the molecular weight of 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid?
The molecular weight of 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid is 332.00 g/mol.
Where can I buy 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid?
You can request a quote for 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-Dioxoisobenzofuran-5-yl)sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.