2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate
TL;DR: 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate (CAS 22258-70-4) is a chemical compound with molecular formula C10H10F3NO3 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-amino-4-(trifluoromethyl)phenyl] ethyl carbonate
Also Known As: 2-Amino-4-trifluoromethylphenyl ethyl carbonate, 2-amino-4-(trifluoromethyl)phenyl ethyl carbonate, [2-amino-4-(trifluoromethyl)phenyl] ethyl carbonate, Carbonic acid, 2-amino-alpha,alpha,alpha-trifluoro-p-tolyl ethyl ester, Carbonic acid,2-amino-4-(trifluoromethyl)phenyl ethyl ester
| Molecular Formula | C10H10F3NO3 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06128 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 22258-70-4 |
|---|---|
| SMILES | CCOC(=O)OC1=C(C=C(C=C1)C(F)(F)F)N |
| InChIKey | VEACMVSUSKECKC-UHFFFAOYSA-N |
Product Overview
2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate (CAS 22258-70-4), with molecular formula C10H10F3NO3 and molecular weight 249.06 g/mol. IUPAC: [2-amino-4-(trifluoromethyl)phenyl] ethyl carbonate.
Chemical Property Profile of 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate
Property Insights of 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate. Following Lipinski's Rule of Five, 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate has 1 hydrogen bond donor(s) and 7 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-Amino-4-(trifluoromethyl)phenyl ethyl carbonate?
The CAS number of 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate is 22258-70-4.
What is the molecular formula of 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate?
The molecular formula of 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate is C10H10F3NO3.
What is the molecular weight of 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate?
The molecular weight of 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate is 249.06 g/mol.
Where can I buy 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate?
You can request a quote for 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(trifluoromethyl)phenyl ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.