Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate
TL;DR: Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate (CAS 115320-99-5) is a chemical compound with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromoanilino)-4-oxofuran-3-carboxylate
Also Known As: NCI60_006852, Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate, ethyl 2-(4-bromoanilino)-4-oxo-furan-3-carboxylate, ethyl 2-(4-bromoanilino)-4-oxofuran-3-carboxylate, ethyl 2-[(4-bromophenyl)amino]-4-oxo-4,5-dihydrofuran-3-carboxylate
| Molecular Formula | C13H12BrNO4 |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.99496 |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 115320-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OCC1=O)NC2=CC=C(C=C2)Br |
| InChIKey | GUZAEXKIKUZYTO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate (CAS 115320-99-5), with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol. IUPAC: ethyl 2-(4-bromoanilino)-4-oxofuran-3-carboxylate.
Chemical Property Profile of Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate
Property Insights of Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate
The XLogP value of 3.5 indicates that Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate. Following Lipinski's Rule of Five, Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate has 1 hydrogen bond donor(s) and 5 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 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate?
The CAS number of Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate is 115320-99-5.
What is the molecular formula of Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate?
The molecular formula of Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate is C13H12BrNO4.
What is the molecular weight of Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate?
The molecular weight of Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate is 324.99 g/mol.
Where can I buy Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate?
You can request a quote for Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-bromoanilino)-4-oxo-4,5-dihydro-3-furancarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.