2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate
TL;DR: 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate (CAS 356079-32-8) is a chemical compound with molecular formula C17H14ClNO5 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloro-5-nitrobenzoate
Also Known As: 2-(2,5-dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate, [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloro-5-nitrobenzoate
| Molecular Formula | C17H14ClNO5 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 3.90474 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.05606 |
| Heavy Atoms | 24 |
| Complexity | 831.72577 |
Chemical Identifiers
| CAS Number | 356079-32-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate (CAS 356079-32-8), with molecular formula C17H14ClNO5 and molecular weight 347.06 g/mol. IUPAC: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloro-5-nitrobenzoate.
Chemical Property Profile of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate
Property Insights of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate
The XLogP value of 3.90474 indicates that 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate 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-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate. Following Lipinski's Rule of Five, 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-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-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate?
The CAS number of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate is 356079-32-8.
What is the molecular formula of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate?
The molecular formula of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate is C17H14ClNO5.
What is the molecular weight of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate?
The molecular weight of 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate is 347.06 g/mol.
Where can I buy 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate?
You can request a quote for 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-chloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.