![2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol structure](/static/products/3031/303140-01-4.webp)
2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol
TL;DR: 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol (CAS 303140-01-4) is a chemical compound with molecular formula C11H13F3N2O4 and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol
Also Known As: BIM-0031760.P001, 2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol, 2-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propane-1,3-diol, 2-methyl-2-((2-nitro-4-(trifluoromethyl)phenyl)amino)propane-1,3-diol
| Molecular Formula | C11H13F3N2O4 |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 1.7688 |
| Topological Polar Surface Area | 95.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.08273 |
| Heavy Atoms | 20 |
| Complexity | 500.9319 |
Chemical Identifiers
| CAS Number | 303140-01-4 |
|---|---|
| SMILES | CC(CO)(CO)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol (CAS 303140-01-4), with molecular formula C11H13F3N2O4 and molecular weight 294.08 g/mol. IUPAC: 2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol.
Chemical Property Profile of 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol
Property Insights of 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol
The XLogP value of 1.7688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol. The TPSA of 95.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol. Following Lipinski's Rule of Five, 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol has 3 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 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol?
The CAS number of 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol is 303140-01-4.
What is the molecular formula of 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol?
The molecular formula of 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol is C11H13F3N2O4.
What is the molecular weight of 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol?
The molecular weight of 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol is 294.08 g/mol.
Where can I buy 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol?
You can request a quote for 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.