Ethyl 4-(3-nitroanilino)-4-oxobutanoate
TL;DR: Ethyl 4-(3-nitroanilino)-4-oxobutanoate (CAS 149926-37-4) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(3-nitroanilino)-4-oxobutanoate
Also Known As: ethyl 4-(3-nitroanilino)-4-oxobutanoate, ethyl 4-{3-nitroanilino}-4-oxobutanoate, ethyl 4-[(3-nitrophenyl)amino]-4-oxobutanoate, ethyl 3-[N-(3-nitrophenyl)carbamoyl]propanoate, AN-329/13038153
Technical Specifications
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.09027 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.09027 Da |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
| SMILES | CCOC(=O)CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | BWWBILZBGSXIDU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(3-nitroanilino)-4-oxobutanoate
Property Insights of Ethyl 4-(3-nitroanilino)-4-oxobutanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-nitroanilino)-4-oxobutanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-nitroanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(3-nitroanilino)-4-oxobutanoate 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
What is the CAS number of Ethyl 4-(3-nitroanilino)-4-oxobutanoate?
The CAS number of Ethyl 4-(3-nitroanilino)-4-oxobutanoate is 149926-37-4.
What is the molecular formula of Ethyl 4-(3-nitroanilino)-4-oxobutanoate?
The molecular formula of Ethyl 4-(3-nitroanilino)-4-oxobutanoate is C12H14N2O5.
What is the molecular weight of Ethyl 4-(3-nitroanilino)-4-oxobutanoate?
The molecular weight of Ethyl 4-(3-nitroanilino)-4-oxobutanoate is 266.09027 g/mol.
Where can I buy Ethyl 4-(3-nitroanilino)-4-oxobutanoate?
You can request a quote for Ethyl 4-(3-nitroanilino)-4-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(3-nitroanilino)-4-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(3-nitroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.