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Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate
TL;DR: Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate (CAS 349399-34-4) 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.
ethyl 4-[[2-(2-nitrophenyl)acetyl]amino]benzoate
Also Known As: ethyl 4-(2-(2-nitrophenyl)acetamido)benzoate, ethyl 4-[2-(2-nitrophenyl)acetylamino]benzoate, ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate, ethyl 4-[[2-(2-nitrophenyl)acetyl]amino]benzoate, ETHYL 4-{[2-(2-NITROPHENYL)ACETYL]AMINO}BENZOATE
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 349399-34-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | TYULCXNRECJWGR-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate (CAS 349399-34-4), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: ethyl 4-[[2-(2-nitrophenyl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate
Property Insights of Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(2-nitrophenyl)acetyl]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 Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate?
The CAS number of Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate is 349399-34-4.
What is the molecular formula of Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate is C17H16N2O5.
What is the molecular weight of Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate is 328.11 g/mol.
Where can I buy Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2-nitrophenyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.