2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate (CAS 306763-89-3) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 3-methoxybenzoate
Also Known As: BAS 00219643, 2-(4-nitrophenyl)-2-oxoethyl 3-methoxybenzoate, 2-{4-nitrophenyl}-2-oxoethyl 3-methoxybenzoate, [2-(4-nitrophenyl)-2-oxoethyl] 3-methoxybenzoate, AB00074779-01
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.6431 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 738.4906 |
Chemical Identifiers
| CAS Number | 306763-89-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate (CAS 306763-89-3), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 3-methoxybenzoate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate
The XLogP value of 2.6431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate has 0 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 3-methoxybenzoate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate is 306763-89-3.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate is C16H13NO6.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate is 315.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate 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 3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.