methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
TL;DR: methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 40580-25-4) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dioxopyrrol-1-yl)benzoate
Also Known As: methyl 4-(2,5-dioxopyrrol-1-yl)benzoate, methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, 4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid methyl ester, 4-Maleinimido-benzoesaeure-methylester, methyl 4-(2,5-dioxoazolinyl)benzoate
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 40580-25-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O |
| InChIKey | MCQKOFWQPCQEBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 40580-25-4), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: methyl 4-(2,5-dioxopyrrol-1-yl)benzoate.
Chemical Property Profile of methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Property Insights of methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate has 0 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 methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The CAS number of methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 40580-25-4.
What is the molecular formula of methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular formula of methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is C12H9NO4.
What is the molecular weight of methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular weight of methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 231.05 g/mol.
Where can I buy methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
You can request a quote for methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.