2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid
TL;DR: 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid (CAS 170029-41-1) is a chemical compound with molecular formula C13H12F6N2O4 and molecular weight 374.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]benzoic acid
Also Known As: 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid, 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)benzoic acid, 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoro-propan-2-yl]amino]benzoic Acid, 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]benzoic acid
| Molecular Formula | C13H12F6N2O4 |
|---|---|
| Molecular Weight | 374.07 g/mol |
| LogP | 3.3637 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.07013 |
| Heavy Atoms | 25 |
| Complexity | 630.1418 |
Chemical Identifiers
| CAS Number | 170029-41-1 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=C1C(=O)O |
Product Overview
2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid (CAS 170029-41-1), with molecular formula C13H12F6N2O4 and molecular weight 374.07 g/mol. IUPAC: 2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]benzoic acid.
Chemical Property Profile of 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid
Property Insights of 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid
The XLogP value of 3.3637 indicates that 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid has 3 hydrogen bond donor(s) and 4 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-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid?
The CAS number of 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid is 170029-41-1.
What is the molecular formula of 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid?
The molecular formula of 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid is C13H12F6N2O4.
What is the molecular weight of 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid?
The molecular weight of 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid is 374.07 g/mol.
Where can I buy 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid?
You can request a quote for 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-((ethoxycarbonyl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.