ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
TL;DR: ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 65833-17-2) is a chemical compound with molecular formula C13H9Cl2NO4 and molecular weight 312.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate
Also Known As: ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate, ethyl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate, ethyl 4-(3,4-dichloro-2,5-dioxoazolinyl)benzoate, ethyl 4-(3,4-dichloro-2,5-dioxo-pyrrol-1-yl)benzoate, C13H9Cl2NO4
| Molecular Formula | C13H9Cl2NO4 |
|---|---|
| Molecular Weight | 312.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.99088 |
| Heavy Atoms | 20 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 65833-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)Cl |
| InChIKey | WIZHDGPMTBABNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 65833-17-2), with molecular formula C13H9Cl2NO4 and molecular weight 312.99 g/mol. IUPAC: ethyl 4-(3,4-dichloro-2,5-dioxopyrrol-1-yl)benzoate.
Chemical Property Profile of ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Property Insights of ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(3,4-dichloro-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 ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3,4-dichloro-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 ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The CAS number of ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 65833-17-2.
What is the molecular formula of ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular formula of ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is C13H9Cl2NO4.
What is the molecular weight of ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular weight of ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 312.99 g/mol.
Where can I buy ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
You can request a quote for ethyl 4-(3,4-dichloro-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 ethyl 4-(3,4-dichloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3,4-dichloro-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.