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Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
TL;DR: Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate (CAS 343372-65-6) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
Also Known As: methyl 4-[2-(2-nitroethyl)benzamido]benzoate, Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate, methyl 4-{[2-(2-nitroethyl)benzoyl]amino}benzenecarboxylate, Methyl 4-((2-(2-nitroethyl)benzoyl)amino)benzenecarboxylate, methyl4-[2-(2-nitroethyl)benzamido]benzoate
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.5447 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 755.8312 |
Chemical Identifiers
| CAS Number | 343372-65-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CC[N+](=O)[O-] |
Product Overview
Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate (CAS 343372-65-6), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
Property Insights of Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
The XLogP value of 2.5447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate has 1 hydrogen bond donor(s) and 5 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-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
The CAS number of Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate is 343372-65-6.
What is the molecular formula of Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
The molecular formula of Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate is C17H16N2O5.
What is the molecular weight of Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
The molecular weight of Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate is 328.11 g/mol.
Where can I buy Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
You can request a quote for Methyl 4-[[2-(2-nitroethyl)benzoyl]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-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.