![4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid structure](/static/products/4778/477847-78-2.webp)
4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid
TL;DR: 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid (CAS 477847-78-2) is a chemical compound with molecular formula C11H10F3NO4 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,2,2-trifluoroethoxycarbonylamino)methyl]benzoic acid
Also Known As: 4-({[(2,2,2-trifluoroethoxy)carbonyl]amino}methyl)benzoic acid, 4-({[(2,2,2-trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid, 10P-671S, 4-[(2,2,2-trifluoroethoxycarbonylamino)methyl]benzoic Acid, trifluoroethoxycarbonylaminomethylbenzenecarboxylicacid
| Molecular Formula | C11H10F3NO4 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 2.1733 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.05618 |
| Heavy Atoms | 19 |
| Complexity | 456.00327 |
Chemical Identifiers
| CAS Number | 477847-78-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)OCC(F)(F)F)C(=O)O |
Product Overview
4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid (CAS 477847-78-2), with molecular formula C11H10F3NO4 and molecular weight 277.06 g/mol. IUPAC: 4-[(2,2,2-trifluoroethoxycarbonylamino)methyl]benzoic acid.
Chemical Property Profile of 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid
Property Insights of 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid
The XLogP value of 2.1733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid. Following Lipinski's Rule of Five, 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid has 2 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 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid?
The CAS number of 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid is 477847-78-2.
What is the molecular formula of 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid?
The molecular formula of 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid is C11H10F3NO4.
What is the molecular weight of 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid?
The molecular weight of 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid is 277.06 g/mol.
Where can I buy 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid?
You can request a quote for 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(2,2,2-Trifluoroethoxy)carbonyl]amino}methyl)benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.