![2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid structure](/static/products/2201/220107-35-7.webp)
2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid
TL;DR: 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid (CAS 220107-35-7) 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.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethoxy)benzoic acid
Also Known As: 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid, 2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethoxy)benzoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethoxy)benzoic Acid, 2-(boc-amino)-5-trifluoromethoxybenzoic acid, 2-(tert-Butoxycarbonylamino)-5-(trifluoromethoxy)benzoic acid
| Molecular Formula | C13H14F3NO5 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 3.6304 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0824 |
| Heavy Atoms | 22 |
| Complexity | 578.0188 |
Chemical Identifiers
| CAS Number | 220107-35-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)OC(F)(F)F)C(=O)O |
Product Overview
2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid (CAS 220107-35-7), with molecular formula C13H14F3NO5 and molecular weight 321.08 g/mol. IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethoxy)benzoic acid.
Chemical Property Profile of 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid
Property Insights of 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid
The XLogP value of 3.6304 indicates that 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid. Following Lipinski's Rule of Five, 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid has 2 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-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid?
The CAS number of 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid is 220107-35-7.
What is the molecular formula of 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid?
The molecular formula of 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid is C13H14F3NO5.
What is the molecular weight of 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid?
The molecular weight of 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid is 321.08 g/mol.
Where can I buy 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid?
You can request a quote for 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)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-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(tert-Butoxycarbonyl)amino]-5-(trifluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.