![Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate structure](/static/products/3269/326901-45-5.webp)
Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate
TL;DR: Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate (CAS 326901-45-5) 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 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate
Also Known As: ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate, AB00089322-01, ethyl 2-[(4-methyl-3-nitrobenzene)amido]benzoate, ETHYL 2-(4-METHYL-3-NITROBENZAMIDO)BENZOATE, ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 326901-45-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-] |
| InChIKey | FQAIWOSBTHUSQR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate (CAS 326901-45-5), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate
Property Insights of Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate
The XLogP value of 3.7 indicates that Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]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 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate?
The CAS number of Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate is 326901-45-5.
What is the molecular formula of Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate?
The molecular formula of Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate is C17H16N2O5.
What is the molecular weight of Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate?
The molecular weight of Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate is 328.11 g/mol.
Where can I buy Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate?
You can request a quote for Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]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-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.