1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-
TL;DR: 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- (CAS 13505-75-4) is a chemical compound with molecular formula C17H8O7 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1,3-dioxo-2-benzofuran-5-yl)-hydroxymethyl]-2-benzofuran-1,3-dione
Also Known As: 4,4'-(Hydroxymethylene)diphthalic anhydride, 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-, 5,5'-(Hydroxymethylene)di(2-benzofuran-1,3-dione), 5,5 -(Hydroxymethylene)bis(isobenzofuran-1,3-dione), 5-[(1,3-dioxo-2-benzofuran-5-yl)-hydroxymethyl]-2-benzofuran-1,3-dione
| Molecular Formula | C17H8O7 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.027 |
| Heavy Atoms | 24 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 13505-75-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)O)C(=O)OC2=O |
| InChIKey | LLCWDRMKCBROSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- (CAS 13505-75-4), with molecular formula C17H8O7 and molecular weight 324.03 g/mol. IUPAC: 5-[(1,3-dioxo-2-benzofuran-5-yl)-hydroxymethyl]-2-benzofuran-1,3-dione.
Chemical Property Profile of 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-
Property Insights of 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- has 1 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 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-?
The CAS number of 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- is 13505-75-4.
What is the molecular formula of 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-?
The molecular formula of 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- is C17H8O7.
What is the molecular weight of 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-?
The molecular weight of 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- is 324.03 g/mol.
Where can I buy 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-?
You can request a quote for 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, 5,5'-(hydroxymethylene)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.