4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-
TL;DR: 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- (CAS 28181-92-2) is a chemical compound with molecular formula C8H4O6S and molecular weight 227.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-benzofuran-4-sulfonic acid
Also Known As: 3-Sulfophthalic anhydride, Phthalic anhydride, 3-sulfo-, 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, 1,3-dioxo-2-benzofuran-4-sulfonic acid, 1,3-Dihydro-1,3-dioxoisobenzofuran-4-sulphonic acid
| Molecular Formula | C8H4O6S |
|---|---|
| Molecular Weight | 227.97 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97285 |
| Heavy Atoms | 15 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 28181-92-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)OC2=O |
| InChIKey | IAZFBDCXIGRJLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- (CAS 28181-92-2), with molecular formula C8H4O6S and molecular weight 227.97 g/mol. IUPAC: 1,3-dioxo-2-benzofuran-4-sulfonic acid.
Chemical Property Profile of 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-
Property Insights of 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-. Following Lipinski's Rule of Five, 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- 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 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-?
The CAS number of 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- is 28181-92-2.
What is the molecular formula of 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-?
The molecular formula of 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- is C8H4O6S.
What is the molecular weight of 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-?
The molecular weight of 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- is 227.97 g/mol.
Where can I buy 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-?
You can request a quote for 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.