![methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate structure](/static/products/4061/406171-29-7.webp)
methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
TL;DR: methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (CAS 406171-29-7) is a chemical compound with molecular formula C20H17ClN2O8 and molecular weight 448.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
Also Known As: methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate, methyl 4-({4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate, methyl 4-(4-(2-(4-chloro-3-nitrophenyl)-2-oxoethoxy)-4-oxobutanamido)benzoate, Methyl 4-[3-[2-(4-chloro-3-nitro-phenyl)-2-oxo-ethoxy]carbonylpropanoylamino]benzoate
| Molecular Formula | C20H17ClN2O8 |
|---|---|
| Molecular Weight | 448.07 g/mol |
| LogP | 3.1796 |
| Topological Polar Surface Area | 141.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.06735 |
| Heavy Atoms | 31 |
| Complexity | 1020.33997 |
Chemical Identifiers
| CAS Number | 406171-29-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (CAS 406171-29-7), with molecular formula C20H17ClN2O8 and molecular weight 448.07 g/mol. IUPAC: methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.
Chemical Property Profile of methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
Property Insights of methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
The XLogP value of 3.1796 indicates that methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.91 Ų indicates high polarity, suggesting methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate has 1 hydrogen bond donor(s) and 8 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 methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The CAS number of methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is 406171-29-7.
What is the molecular formula of methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The molecular formula of methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is C20H17ClN2O8.
What is the molecular weight of methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The molecular weight of methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is 448.07 g/mol.
Where can I buy methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
You can request a quote for methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-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 methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.