![methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate structure](/static/products/2941/294196-61-5.webp)
methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate
TL;DR: methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate (CAS 294196-61-5) is a chemical compound with molecular formula C13H14F3NO5 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoate
Also Known As: methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate, 3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester, methyl 3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoate, Methyl alpha-hydroxy-4-[(methoxycarbonyl)methylamino]-alpha-(trifluoromethyl)benzeneacetate, methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methoxy-N-methylcarbonylamino)phenyl]pr opanoate
| Molecular Formula | C13H14F3NO5 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 1.8121 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0824 |
| Heavy Atoms | 22 |
| Complexity | 557.7891 |
Chemical Identifiers
| CAS Number | 294196-61-5 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)OC |
Product Overview
methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate (CAS 294196-61-5), with molecular formula C13H14F3NO5 and molecular weight 321.08 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate
Property Insights of methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate
The XLogP value of 1.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate 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 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate is 294196-61-5.
What is the molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate is C13H14F3NO5.
What is the molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate is 321.08 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methoxycarbonyl)(methyl)amino]phenyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.