![Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- structure](/static/products/1131/113117-47-8.webp)
Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-
TL;DR: Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- (CAS 113117-47-8) is a chemical compound with molecular formula C12H12BrNO5 and molecular weight 328.9899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-[(3-ethoxy-3-oxopropanoyl)amino]benzoic acid
Also Known As: Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-, 5-bromo-2-[(3-ethoxy-3-oxopropanoyl)amino]benzoic acid, 5-bromo-2-[2-(ethoxycarbonyl)acetylamino]benzoic acid, 5-BROMO-2-(3-ETHOXY-3-OXOPROPANAMIDO)BENZOIC ACID
Technical Specifications
| Molecular Formula | C12H12BrNO5 |
| Molecular Weight | 328.9899 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.9899 Da |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
| SMILES | CCOC(=O)CC(=O)NC1=C(C=C(C=C1)Br)C(=O)O |
| InChIKey | HQUFEYAOSDZFFF-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-
Property Insights of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-. Following Lipinski's Rule of Five, Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-?
The CAS number of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- is 113117-47-8.
What is the molecular formula of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-?
The molecular formula of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- is C12H12BrNO5.
What is the molecular weight of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-?
The molecular weight of Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- is 328.9899 g/mol.
Where can I buy Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-?
You can request a quote for Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 5-bromo-2-[(3-ethoxy-1,3-dioxopropyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.