Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester
TL;DR: Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester (CAS 71235-95-5) is a chemical compound with molecular formula C11H11F3N2O3 and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-carbamoyl-N-[2-(trifluoromethyl)phenyl]carbamate
Also Known As: Ethyl 2-(o-trifluoromethylphenyl)allophanate, Ethyl 2-(2-trifluoromethylphenyl)allophanate, 2-(2-Trifluoromethylphenyl)allophanic acid ethyl ester, ethyl N-carbamoyl-N-[2-(trifluoromethyl)phenyl]carbamate, ALLOPHANIC ACID, 2-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-, ETHYL ESTER
| Molecular Formula | C11H11F3N2O3 |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.07217 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 71235-95-5 |
|---|---|
| SMILES | CCOC(=O)N(C1=CC=CC=C1C(F)(F)F)C(=O)N |
| InChIKey | FTERQIIEPDJLQN-UHFFFAOYSA-N |
Product Overview
Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester (CAS 71235-95-5), with molecular formula C11H11F3N2O3 and molecular weight 276.07 g/mol. IUPAC: ethyl N-carbamoyl-N-[2-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester
Property Insights of Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester. Following Lipinski's Rule of Five, Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester has 1 hydrogen bond donor(s) and 6 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 Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester?
The CAS number of Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester is 71235-95-5.
What is the molecular formula of Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester?
The molecular formula of Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester is C11H11F3N2O3.
What is the molecular weight of Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester?
The molecular weight of Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester is 276.07 g/mol.
Where can I buy Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester?
You can request a quote for Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Allophanic acid, 2-(alpha,alpha,alpha-trifluoro-o-tolyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.