![Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate structure](/static/products/3520/352005-30-2.webp)
Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
TL;DR: Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate (CAS 352005-30-2) is a chemical compound with molecular formula C20H18N2O8 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
Also Known As: methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate, methyl 4-[[4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate, methyl 4-(4-(2-(3-nitrophenyl)-2-oxoethoxy)-4-oxobutanamido)benzoate, methyl 4-{[4-(2-{3-nitrophenyl}-2-oxoethoxy)-4-oxobutanoyl]amino}benzoate, METHYL 4-{4-[2-(3-NITROPHENYL)-2-OXOETHOXY]-4-OXOBUTANAMIDO}BENZOATE
| Molecular Formula | C20H18N2O8 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 2.5262 |
| Topological Polar Surface Area | 141.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.10632 |
| Heavy Atoms | 30 |
| Complexity | 969.0267 |
Chemical Identifiers
| CAS Number | 352005-30-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate (CAS 352005-30-2), with molecular formula C20H18N2O8 and molecular weight 414.11 g/mol. IUPAC: methyl 4-[[4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.
Chemical Property Profile of Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
Property Insights of Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate
The XLogP value of 2.5262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate. The TPSA of 141.91 Ų indicates high polarity, suggesting Methyl 4-({4-[2-(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-(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-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
The CAS number of Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate is 352005-30-2.
What is the molecular formula of Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
The molecular formula of Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate is C20H18N2O8.
What is the molecular weight of Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
The molecular weight of Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate is 414.11 g/mol.
Where can I buy Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
You can request a quote for Methyl 4-({4-[2-(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-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.