2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate (CAS 438477-29-3) is a chemical compound with molecular formula C23H15NO5 and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 4-(2-phenylethynyl)benzoate
Also Known As: BIM-0035679.P001, 2-(4-nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate, [2-(4-nitrophenyl)-2-oxoethyl] 4-(2-phenylethynyl)benzoate
| Molecular Formula | C23H15NO5 |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 4.0343 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.09503 |
| Heavy Atoms | 29 |
| Complexity | 1092.0051 |
Chemical Identifiers
| CAS Number | 438477-29-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate (CAS 438477-29-3), with molecular formula C23H15NO5 and molecular weight 385.10 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 4-(2-phenylethynyl)benzoate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate
The XLogP value of 4.0343 indicates that 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)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
Frequently Asked Questions
What is the CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate is 438477-29-3.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate is C23H15NO5.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate is 385.10 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)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 4-(phenylethynyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl 4-(phenylethynyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.