4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid
TL;DR: 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid (CAS 56896-91-4) is a chemical compound with molecular formula C12H7NO6 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dioxopyrrol-1-yl)phthalic acid
Also Known As: 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid, 4-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)phthalic acid, 4-(2,5-dioxopyrrol-1-yl)phthalic Acid, 4- -PHTHALICACID, RARECHEM AL CD 0706
| Molecular Formula | C12H7NO6 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 0.5124 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.02734 |
| Heavy Atoms | 19 |
| Complexity | 627.61975 |
Chemical Identifiers
| CAS Number | 56896-91-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C(=O)C=CC2=O)C(=O)O)C(=O)O |
Product Overview
4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid (CAS 56896-91-4), with molecular formula C12H7NO6 and molecular weight 261.03 g/mol. IUPAC: 4-(2,5-dioxopyrrol-1-yl)phthalic acid.
Chemical Property Profile of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid
Property Insights of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid
The XLogP value of 0.5124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid. Following Lipinski's Rule of Five, 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid has 2 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 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid?
The CAS number of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid is 56896-91-4.
What is the molecular formula of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid?
The molecular formula of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid is C12H7NO6.
What is the molecular weight of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid?
The molecular weight of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid is 261.03 g/mol.
Where can I buy 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid?
You can request a quote for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.