![3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid structure](/static/products/100/1004687-97-1.png)
3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid
TL;DR: 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid (CAS 1004687-97-1) is a chemical compound with molecular formula C16H12F3NO6 and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
Also Known As: 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid, C16H12F3NO6
| Molecular Formula | C16H12F3NO6 |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 4.5028 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.06168 |
| Heavy Atoms | 26 |
| Complexity | 850.3641 |
Chemical Identifiers
| CAS Number | 1004687-97-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(=O)O)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid (CAS 1004687-97-1), with molecular formula C16H12F3NO6 and molecular weight 371.06 g/mol. IUPAC: 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid.
Chemical Property Profile of 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid
Property Insights of 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid
The XLogP value of 4.5028 indicates that 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid. Following Lipinski's Rule of Five, 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid has 1 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 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid?
The CAS number of 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid is 1004687-97-1.
What is the molecular formula of 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid?
The molecular formula of 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid is C16H12F3NO6.
What is the molecular weight of 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid?
The molecular weight of 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid is 371.06 g/mol.
Where can I buy 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid?
You can request a quote for 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.