4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
TL;DR: 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (CAS 340132-82-3) is a chemical compound with molecular formula C11H7F6NO4 and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
Also Known As: 4-nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate, (4-nitrophenyl) 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
| Molecular Formula | C11H7F6NO4 |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 3.6311 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.02792 |
| Heavy Atoms | 22 |
| Complexity | 563.73047 |
Chemical Identifiers
| CAS Number | 340132-82-3 |
|---|---|
| SMILES | CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F |
Product Overview
4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate (CAS 340132-82-3), with molecular formula C11H7F6NO4 and molecular weight 331.03 g/mol. IUPAC: (4-nitrophenyl) 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate.
Chemical Property Profile of 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
Property Insights of 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
The XLogP value of 3.6311 indicates that 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate has 0 hydrogen bond donor(s) and 4 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 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The CAS number of 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is 340132-82-3.
What is the molecular formula of 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The molecular formula of 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is C11H7F6NO4.
What is the molecular weight of 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
The molecular weight of 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate is 331.03 g/mol.
Where can I buy 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
You can request a quote for 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.