![Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate structure](/static/products/3138/31385-12-3.webp)
Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate
TL;DR: Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate (CAS 31385-12-3) is a chemical compound with molecular formula C10H8F3NO3 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
Also Known As: methyl 2-(2,2,2-trifluoroacetamido)benzoate, Bionet2_001494, methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate, methyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate, methyl 2-[(trifluoroacetyl)amino]benzoate
| Molecular Formula | C10H8F3NO3 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 1.974 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04562 |
| Heavy Atoms | 17 |
| Complexity | 442.66742 |
Chemical Identifiers
| CAS Number | 31385-12-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C(F)(F)F |
Product Overview
Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate (CAS 31385-12-3), with molecular formula C10H8F3NO3 and molecular weight 247.05 g/mol. IUPAC: methyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate.
Chemical Property Profile of Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate
Property Insights of Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate
The XLogP value of 1.974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate has 1 hydrogen bond donor(s) and 3 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-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate?
The CAS number of Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate is 31385-12-3.
What is the molecular formula of Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate?
The molecular formula of Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate is C10H8F3NO3.
What is the molecular weight of Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate?
The molecular weight of Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate is 247.05 g/mol.
Where can I buy Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate?
You can request a quote for Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2,2,2-trifluoroacetyl)amino]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.