Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate
TL;DR: Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate (CAS 13544-07-5) is a chemical compound with molecular formula C10H8F3NO4 and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
Also Known As: Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate, Methyl (2-nitro-4-trifluoromethylphenyl)acetate, Methyl 2-nitro-4-(trifluoromethyl)phenylacetate, methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]acetate, Methyl (2-nitro-4-trifluorobenzyl)acetate
| Molecular Formula | C10H8F3NO4 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.04053 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 13544-07-5 |
|---|---|
| SMILES | COC(=O)CC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | WFQOIJIXNFOYCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate (CAS 13544-07-5), with molecular formula C10H8F3NO4 and molecular weight 263.04 g/mol. IUPAC: methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]acetate.
Chemical Property Profile of Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate
Property Insights of Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate has 0 hydrogen bond donor(s) and 7 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 Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate?
The CAS number of Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate is 13544-07-5.
What is the molecular formula of Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate?
The molecular formula of Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate is C10H8F3NO4.
What is the molecular weight of Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate?
The molecular weight of Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate is 263.04 g/mol.
Where can I buy Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate?
You can request a quote for Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.