![[2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate structure](/static/products/7219/721908-67-4.webp)
[2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate
TL;DR: [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate (CAS 721908-67-4) is a chemical compound with molecular formula C16H12N2O6 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitroanilino)-2-oxoethyl] 4-formylbenzoate
Also Known As: [2-(4-nitroanilino)-2-oxoethyl] 4-formylbenzoate|[(4-NITROPHENYL)CARBAMOYL]METHYL 4-FORMYLBENZOATE|EN300-1611091
| Molecular Formula | C16H12N2O6 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 2.2028 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.06955 |
| Heavy Atoms | 24 |
| Complexity | 768.15955 |
Chemical Identifiers
| CAS Number | 721908-67-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
[2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate (CAS 721908-67-4), with molecular formula C16H12N2O6 and molecular weight 328.07 g/mol. IUPAC: [2-(4-nitroanilino)-2-oxoethyl] 4-formylbenzoate.
Chemical Property Profile of [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate
Property Insights of [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate
The XLogP value of 2.2028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate. Following Lipinski's Rule of Five, [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate 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 [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate?
The CAS number of [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate is 721908-67-4.
What is the molecular formula of [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate?
The molecular formula of [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate is C16H12N2O6.
What is the molecular weight of [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate?
The molecular weight of [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate is 328.07 g/mol.
Where can I buy [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate?
You can request a quote for [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-Nitroanilino)-2-oxoethyl] 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.