2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate
TL;DR: 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate (CAS 351497-19-3) is a chemical compound with molecular formula C18H17NO6 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
Also Known As: 2-{3-nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate, [2-(3-nitrophenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate, 2-(3-nitrophenyl)-2-oxoethyl (3,4-dimethylphenoxy)acetate, [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenoxy)ethanoate, 2-(3,4-dimethylphenoxy)acetic acid [2-(3-nitrophenyl)-2-oxoethyl] ester
| Molecular Formula | C18H17NO6 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 3.01654 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.1056 |
| Heavy Atoms | 25 |
| Complexity | 814.9636 |
Chemical Identifiers
| CAS Number | 351497-19-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate (CAS 351497-19-3), with molecular formula C18H17NO6 and molecular weight 343.11 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.
Chemical Property Profile of 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate
Property Insights of 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate
The XLogP value of 3.01654 indicates that 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate. Following Lipinski's Rule of Five, 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate 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-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate?
The CAS number of 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate is 351497-19-3.
What is the molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate?
The molecular formula of 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate is C18H17NO6.
What is the molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate?
The molecular weight of 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate is 343.11 g/mol.
Where can I buy 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate?
You can request a quote for 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-Nitrophenyl}-2-oxoethyl (3,4-dimethylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.