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Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate
TL;DR: Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate (CAS 356550-69-1) is a chemical compound with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate
Also Known As: ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate, ethyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate, AN-329/40688590, ethyl 4-{5-nitro-2-methoxyanilino}-4-oxobutanoate, ethyl 3-[N-(2-methoxy-5-nitrophenyl)carbamoyl]propanoate
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 1.8852 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 543.4631 |
Chemical Identifiers
| CAS Number | 356550-69-1 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC |
Product Overview
Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate (CAS 356550-69-1), with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol. IUPAC: ethyl 4-(2-methoxy-5-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate
Property Insights of Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate
The XLogP value of 1.8852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate has 1 hydrogen bond donor(s) and 6 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 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate?
The CAS number of Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate is 356550-69-1.
What is the molecular formula of Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate?
The molecular formula of Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate is C13H16N2O6.
What is the molecular weight of Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate?
The molecular weight of Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate is 296.10 g/mol.
Where can I buy Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate?
You can request a quote for Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-methoxy-5-nitrophenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.