2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate
TL;DR: 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate (CAS 351497-49-9) is a chemical compound with molecular formula C18H15ClN2O6 and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 4-(2-chloroanilino)-4-oxobutanoate
Also Known As: 2-{4-nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate, [2-(4-nitrophenyl)-2-oxoethyl] 4-(2-chloroanilino)-4-oxobutanoate, 2-(4-nitrophenyl)-2-oxoethyl 3-[N-(2-chlorophenyl)carbamoyl]propanoate, 2-(4-nitrophenyl)-2-oxoethyl 4-((2-chlorophenyl)amino)-4-oxobutanoate, 2-(4-nitrophenyl)-2-oxoethyl 4-[(2-chlorophenyl)amino]-4-oxobutanoate
| Molecular Formula | C18H15ClN2O6 |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 3.393 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.06186 |
| Heavy Atoms | 27 |
| Complexity | 866.4105 |
Chemical Identifiers
| CAS Number | 351497-49-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate (CAS 351497-49-9), with molecular formula C18H15ClN2O6 and molecular weight 390.06 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 4-(2-chloroanilino)-4-oxobutanoate.
Chemical Property Profile of 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate
Property Insights of 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate
The XLogP value of 3.393 indicates that 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-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-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate?
The CAS number of 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate is 351497-49-9.
What is the molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate?
The molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate is C18H15ClN2O6.
What is the molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate?
The molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate is 390.06 g/mol.
Where can I buy 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate?
You can request a quote for 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-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-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-Nitrophenyl}-2-oxoethyl 4-(2-chloroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.