![Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate structure](/static/products/4777/477768-39-1.webp)
Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate
TL;DR: Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate (CAS 477768-39-1) is a chemical compound with molecular formula C14H16F3N3O6 and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate
Also Known As: methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate, 5N-088, methyl 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}-3,3-dimethylbutanoate, methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethyl-butanoate, methyl2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}-3,3-dimethylbutanoate
| Molecular Formula | C14H16F3N3O6 |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.5214 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.09912 |
| Heavy Atoms | 26 |
| Complexity | 707.4184 |
Chemical Identifiers
| CAS Number | 477768-39-1 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OC)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate (CAS 477768-39-1), with molecular formula C14H16F3N3O6 and molecular weight 379.10 g/mol. IUPAC: methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate.
Chemical Property Profile of Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate
Property Insights of Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate
The XLogP value of 3.5214 indicates that Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate. Following Lipinski's Rule of Five, Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate has 1 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-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate?
The CAS number of Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate is 477768-39-1.
What is the molecular formula of Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate?
The molecular formula of Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate is C14H16F3N3O6.
What is the molecular weight of Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate?
The molecular weight of Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate is 379.10 g/mol.
Where can I buy Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate?
You can request a quote for Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.