![2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid structure](/static/products/146/146828-51-5.webp)
2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid
TL;DR: 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid (CAS 146828-51-5) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-(ethylamino)-3-oxopropanoyl]amino]benzoic acid
Also Known As: 2-(3-(ethylamino)-3-oxopropanamido)benzoic acid, 2-[[3-(ethylamino)-3-oxopropanoyl]amino]benzoic acid, 2-{[3-(ethylamino)-3-oxopropanoyl]amino}benzoic acid
Technical Specifications
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.09535 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 Da |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
| SMILES | CCNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O |
| InChIKey | PXKBKZAWZXPPFU-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid
Property Insights of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid?
The CAS number of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid is 146828-51-5.
What is the molecular formula of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid?
The molecular formula of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid is C12H14N2O4.
What is the molecular weight of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid?
The molecular weight of 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid is 250.09535 g/mol.
Where can I buy 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid?
You can request a quote for 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-{[3-(Ethylamino)-3-oxopropanoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.