2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate (CAS 355814-81-2) is a chemical compound with molecular formula C21H16N2O5 and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 2-anilinobenzoate
Also Known As: 2-(4-nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate, [2-(4-nitrophenyl)-2-oxoethyl] 2-anilinobenzoate, 2-(4-NITROPHENYL)-2-OXOETHYL 2-ANILINOBENZOATE
| Molecular Formula | C21H16N2O5 |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 4.3781 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.10593 |
| Heavy Atoms | 28 |
| Complexity | 1000.8192 |
Chemical Identifiers
| CAS Number | 355814-81-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate (CAS 355814-81-2), with molecular formula C21H16N2O5 and molecular weight 376.11 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 2-anilinobenzoate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate
The XLogP value of 4.3781 indicates that 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)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 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate is 355814-81-2.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate is C21H16N2O5.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate is 376.11 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl 2-(phenylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.