![2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate structure](/static/products/5749/5749-56-4.webp)
2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate
TL;DR: 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate (CAS 5749-56-4) is a chemical compound with molecular formula C28H24N2O9 and molecular weight 532.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-[[5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
Also Known As: 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate, 2-OXO-2-PHENYLETHYL 4-{5-[2-(3-NITROPHENYL)-2-OXOETHOXY]-5-OXOPENTANAMIDO}BENZOATE, phenacyl 4-[[5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate, Phenacyl 4-[4-[2-(3-nitrophenyl)-2-oxo-ethoxy]carbonylbutanoylamino]benzoate
| Molecular Formula | C28H24N2O9 |
|---|---|
| Molecular Weight | 532.15 g/mol |
| LogP | 4.1694 |
| Topological Polar Surface Area | 158.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 532.1482 |
| Heavy Atoms | 39 |
| Complexity | 1369.2958 |
Chemical Identifiers
| CAS Number | 5749-56-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate (CAS 5749-56-4), with molecular formula C28H24N2O9 and molecular weight 532.15 g/mol. IUPAC: phenacyl 4-[[5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate.
Chemical Property Profile of 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate
Property Insights of 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate
The XLogP value of 4.1694 indicates that 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}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-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}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-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate?
The CAS number of 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate is 5749-56-4.
What is the molecular formula of 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate?
The molecular formula of 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate is C28H24N2O9.
What is the molecular weight of 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate?
The molecular weight of 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate is 532.15 g/mol.
Where can I buy 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate?
You can request a quote for 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}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-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-phenylethyl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.