![2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate structure](/static/products/6495/649578-79-0.webp)
2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
TL;DR: 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate (CAS 649578-79-0) is a chemical compound with molecular formula C27H20Cl2N2O9 and molecular weight 586.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 4-[[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
Also Known As: 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate, [2-(3-nitrophenyl)-2-oxoethyl] 4-[[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate, 2-(3-Nitrophenyl)-2-oxoethyl 4-[[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1,4-dioxobutyl]amino]benzoate, 2-(3-NITROPHENYL)-2-OXOETHYL 4-{4-[2-(2,4-DICHLOROPHENYL)-2-OXOETHOXY]-4-OXOBUTANAMIDO}BENZOATE
| Molecular Formula | C27H20Cl2N2O9 |
|---|---|
| Molecular Weight | 586.05 g/mol |
| LogP | 5.0861 |
| Topological Polar Surface Area | 158.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 586.05457 |
| Heavy Atoms | 40 |
| Complexity | 1473.0808 |
Chemical Identifiers
| CAS Number | 649578-79-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate (CAS 649578-79-0), with molecular formula C27H20Cl2N2O9 and molecular weight 586.05 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 4-[[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.
Chemical Property Profile of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
Property Insights of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
The XLogP value of 5.0861 indicates that 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.98 Ų indicates high polarity, suggesting 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
The CAS number of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate is 649578-79-0.
What is the molecular formula of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
The molecular formula of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate is C27H20Cl2N2O9.
What is the molecular weight of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
The molecular weight of 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate is 586.05 g/mol.
Where can I buy 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
You can request a quote for 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitrophenyl)-2-oxoethyl 4-({4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.