Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate
TL;DR: Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate (CAS 140861-42-3) is a chemical compound with molecular formula C16H12ClNO5 and molecular weight 333.0404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate
Also Known As: ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate, ETHYL2- BENZOATE, ethyl 2-(4-chloro-3-nitro-benzoyl)benzoate, 2-(4-Chloro-3-nitro-benzoyl)-benzoic acid ethyl ester, Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-, ethyl ester
Technical Specifications
| Molecular Formula | C16H12ClNO5 |
| Molecular Weight | 333.0404 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0404 Da |
| Heavy Atoms | 23 |
| Complexity | 464.0 |
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | UHIHLTDQQZLRIJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate
Property Insights of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate
The XLogP value of 3.9 indicates that Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate?
The CAS number of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate is 140861-42-3.
What is the molecular formula of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate?
The molecular formula of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate is C16H12ClNO5.
What is the molecular weight of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate?
The molecular weight of Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate is 333.0404 g/mol.
Where can I buy Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate?
You can request a quote for Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.