Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate
TL;DR: Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate (CAS 330997-81-4) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-amino-4-nitrobenzoyl)benzoate
Also Known As: ethyl 2-(3-amino-4-nitrobenzoyl)benzoate, BAS 00327375, ethyl 2-[(3-amino-4-nitrophenyl)carbonyl]benzoate, 2-(3-Amino-4-nitro-benzoyl)-benzoic acid ethyl ester
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.5847 |
| Topological Polar Surface Area | 112.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 785.7901 |
Chemical Identifiers
| CAS Number | 330997-81-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])N |
Product Overview
Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate (CAS 330997-81-4), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: ethyl 2-(3-amino-4-nitrobenzoyl)benzoate.
Chemical Property Profile of Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate
Property Insights of Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate
The XLogP value of 2.5847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate. The TPSA of 112.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate has 1 hydrogen bond donor(s) and 6 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 2-(3-amino-4-nitrobenzoyl)benzoate?
The CAS number of Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate is 330997-81-4.
What is the molecular formula of Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate?
The molecular formula of Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate is C16H14N2O5.
What is the molecular weight of Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate?
The molecular weight of Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate is 314.09 g/mol.
Where can I buy Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate?
You can request a quote for Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-amino-4-nitrobenzoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.