2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate
TL;DR: 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate (CAS 356079-39-5) is a chemical compound with molecular formula C23H17NO6 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-benzoylbenzoate
Also Known As: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate, [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-benzoylbenzoate, 2-{3-nitro-4-methylphenyl}-2-oxoethyl 2-benzoylbenzoate, 2-(4-METHYL-3-NITROPHENYL)-2-OXOETHYL 2-BENZOYLBENZOATE
| Molecular Formula | C23H17NO6 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 4.17392 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.1056 |
| Heavy Atoms | 30 |
| Complexity | 1137.4401 |
Chemical Identifiers
| CAS Number | 356079-39-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate (CAS 356079-39-5), with molecular formula C23H17NO6 and molecular weight 403.11 g/mol. IUPAC: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-benzoylbenzoate.
Chemical Property Profile of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate
Property Insights of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate
The XLogP value of 4.17392 indicates that 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate. Following Lipinski's Rule of Five, 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate 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-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate?
The CAS number of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate is 356079-39-5.
What is the molecular formula of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate?
The molecular formula of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate is C23H17NO6.
What is the molecular weight of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate?
The molecular weight of 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate is 403.11 g/mol.
Where can I buy 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate?
You can request a quote for 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)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-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-3-nitrophenyl)-2-oxoethyl 2-(phenylcarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.