1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid
TL;DR: 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid (CAS 3786-39-8) is a chemical compound with molecular formula C9H4O5 and molecular weight 192.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxo-2-benzofuran-4-carboxylic acid
Also Known As: hemimellitsaureanhydrid, 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid, 1,3-dioxoisobenzofuran-4-carboxylic Acid, 1,3-dioxo-2-benzofuran-4-carboxylic acid, 1,3-Dioxo-1,3-dihydro-isobenzofuran-4-carboxylic acid
| Molecular Formula | C9H4O5 |
|---|---|
| Molecular Weight | 192.01 g/mol |
| LogP | 0.6954 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.00587 |
| Heavy Atoms | 14 |
| Complexity | 460.27017 |
Chemical Identifiers
| CAS Number | 3786-39-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C(=O)O)C(=O)OC2=O |
Product Overview
1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid (CAS 3786-39-8), with molecular formula C9H4O5 and molecular weight 192.01 g/mol. IUPAC: 1,3-dioxo-2-benzofuran-4-carboxylic acid.
Chemical Property Profile of 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid
Property Insights of 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid
The XLogP value of 0.6954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid. Following Lipinski's Rule of Five, 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid?
The CAS number of 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid is 3786-39-8.
What is the molecular formula of 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid?
The molecular formula of 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid is C9H4O5.
What is the molecular weight of 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid?
The molecular weight of 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid is 192.01 g/mol.
Where can I buy 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid?
You can request a quote for 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxo-1,3-dihydroisobenzofuran-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.