2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate
TL;DR: 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate (CAS 314045-58-4) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-(4-nitroanilino)-4-oxobutanoate
Also Known As: phenacyl 4-(4-nitroanilino)-4-oxobutanoate, 2-oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate, 2-oxo-2-phenylethyl 4-[(4-nitrophenyl)amino]-4-oxobutanoate, 2-oxo-2-phenylethyl 3-[N-(4-nitrophenyl)carbamoyl]propanoate, 2-OXO-2-PHENYLETHYL 3-[(4-NITROPHENYL)CARBAMOYL]PROPANOATE
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 2.7396 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 802.19086 |
Chemical Identifiers
| CAS Number | 314045-58-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate (CAS 314045-58-4), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: phenacyl 4-(4-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate
Property Insights of 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate
The XLogP value of 2.7396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-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 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate?
The CAS number of 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate is 314045-58-4.
What is the molecular formula of 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate?
The molecular formula of 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate is C18H16N2O6.
What is the molecular weight of 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate?
The molecular weight of 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate is 356.10 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate?
You can request a quote for 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 4-{4-nitroanilino}-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.