5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)
TL;DR: 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) (CAS 70615-17-7) is a chemical compound with molecular formula C8H7NO6S and molecular weight 245.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;1,3-dioxo-2-benzofuran-5-sulfonic acid
Also Known As: Ammonium sulfophthalate, azane; 1,3-dioxo-2-benzofuran-5-sulfonic acid, ammonium 1,3-dioxo-1,3-dihydro-2-benzofuran-5-sulfonate, 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt, 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)
| Molecular Formula | C8H7NO6S |
|---|---|
| Molecular Weight | 245.00 g/mol |
| LogP | 0.41 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.9994 |
| Heavy Atoms | 16 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 70615-17-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)O)C(=O)OC2=O.N |
| InChIKey | ACQBQXUJPUYIIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) (CAS 70615-17-7), with molecular formula C8H7NO6S and molecular weight 245.00 g/mol. IUPAC: azane;1,3-dioxo-2-benzofuran-5-sulfonic acid.
Chemical Property Profile of 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)
Property Insights of 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1). The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1). Following Lipinski's Rule of Five, 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) 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 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)?
The CAS number of 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) is 70615-17-7.
What is the molecular formula of 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)?
The molecular formula of 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) is C8H7NO6S.
What is the molecular weight of 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)?
The molecular weight of 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) is 245.00 g/mol.
Where can I buy 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)?
You can request a quote for 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.