4-(3-Ethoxy-3-oxopropanamido)benzoic acid
TL;DR: 4-(3-Ethoxy-3-oxopropanamido)benzoic acid (CAS 130217-49-1) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-ethoxy-3-oxopropanoyl)amino]benzoic acid
Also Known As: BC-DXI-01, UPCMLD00WDMA024590:001, 4-(3-ETHOXY-3-OXOPROPANAMIDO)BENZOIC ACID, 4-[(2-ethoxycarbonylacetyl)amino]benzoic Acid, 4-[(3-ethoxy-1,3-dioxopropyl)amino]benzoic acid
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
| SMILES | CCOC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | CIIBCTSKJNXPLW-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Ethoxy-3-oxopropanamido)benzoic acid
Property Insights of 4-(3-Ethoxy-3-oxopropanamido)benzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Ethoxy-3-oxopropanamido)benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Ethoxy-3-oxopropanamido)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Ethoxy-3-oxopropanamido)benzoic acid 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 4-(3-Ethoxy-3-oxopropanamido)benzoic acid?
The CAS number of 4-(3-Ethoxy-3-oxopropanamido)benzoic acid is 130217-49-1.
What is the molecular formula of 4-(3-Ethoxy-3-oxopropanamido)benzoic acid?
The molecular formula of 4-(3-Ethoxy-3-oxopropanamido)benzoic acid is C12H13NO5.
What is the molecular weight of 4-(3-Ethoxy-3-oxopropanamido)benzoic acid?
The molecular weight of 4-(3-Ethoxy-3-oxopropanamido)benzoic acid is 251.07938 g/mol.
Where can I buy 4-(3-Ethoxy-3-oxopropanamido)benzoic acid?
You can request a quote for 4-(3-Ethoxy-3-oxopropanamido)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Ethoxy-3-oxopropanamido)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Ethoxy-3-oxopropanamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.