![Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate structure](/static/products/208/208046-93-9.png)
Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate
TL;DR: Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate (CAS 208046-93-9) is a chemical compound with molecular formula C13H15F3N2O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate
Also Known As: BAS 01259763, J1.057.489G, methyl N-[2-nitro-4-(trifluoromethyl)phenyl]valinate, methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate, methyl 3-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate
| Molecular Formula | C13H15F3N2O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.2231 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.0984 |
| Heavy Atoms | 22 |
| Complexity | 572.8939 |
Chemical Identifiers
| CAS Number | 208046-93-9 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate (CAS 208046-93-9), with molecular formula C13H15F3N2O4 and molecular weight 320.10 g/mol. IUPAC: methyl 3-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]butanoate.
Chemical Property Profile of Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate
Property Insights of Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate
The XLogP value of 3.2231 indicates that Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate. Following Lipinski's Rule of Five, Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate 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 Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate?
The CAS number of Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate is 208046-93-9.
What is the molecular formula of Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate?
The molecular formula of Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate is C13H15F3N2O4.
What is the molecular weight of Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate?
The molecular weight of Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate is 320.10 g/mol.
Where can I buy Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate?
You can request a quote for Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.