3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid
TL;DR: 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid (CAS 98704-22-4) is a chemical compound with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(2,5-dioxopyrrol-1-yl)benzoic acid
Also Known As: AChE-IN-65, 3,5-dimaleimidobenzoic acid, 3,5-bis(2,5-dioxopyrrol-1-yl)benzoic acid, 3,5-bis(2,5-dioxo-1-pyrrolyl)benzoic acid, J1.204.716I
| Molecular Formula | C15H8N2O6 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.03824 |
| Heavy Atoms | 23 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 98704-22-4 |
|---|---|
| SMILES | C1=CC(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)N3C(=O)C=CC3=O |
| InChIKey | RCBGGBMZYJSLJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid (CAS 98704-22-4), with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol. IUPAC: 3,5-bis(2,5-dioxopyrrol-1-yl)benzoic acid.
Chemical Property Profile of 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid
Property Insights of 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid
The XLogP value of -0.3 indicates that 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3,5-Bis(2,5-dioxopyrrol-1-yl)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 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid?
The CAS number of 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid is 98704-22-4.
What is the molecular formula of 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid?
The molecular formula of 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid is C15H8N2O6.
What is the molecular weight of 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid?
The molecular weight of 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid is 312.04 g/mol.
Where can I buy 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid?
You can request a quote for 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(2,5-dioxopyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.