2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate
TL;DR: 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate (CAS 324067-89-2) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxoethyl] 3-nitrobenzoate
Also Known As: 2-(4-methylphenyl)-2-oxoethyl 3-nitrobenzoate, 2-oxo-2-(p-tolyl)ethyl 3-nitrobenzoate, UPCMLD0ENAT5629582:001, [2-(4-methylphenyl)-2-oxoethyl] 3-nitrobenzoate, F0311-0612
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.94292 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 721.571 |
Chemical Identifiers
| CAS Number | 324067-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate (CAS 324067-89-2), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 3-nitrobenzoate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate
Property Insights of 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate
The XLogP value of 2.94292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate 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-Methylphenyl)-2-oxoethyl 3-nitrobenzoate?
The CAS number of 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate is 324067-89-2.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate?
The molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate is C16H13NO5.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate?
The molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate is 299.08 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate?
You can request a quote for 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxoethyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.