![2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate structure](/static/products/860/860649-85-0.png)
2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate
TL;DR: 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate (CAS 860649-85-0) is a chemical compound with molecular formula C17H13Cl2F3N2O3 and molecular weight 420.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl N-[[4-[(2,4-dichlorophenyl)carbamoyl]phenyl]methyl]carbamate
Also Known As: 11P-549S, 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate, 2,2,2-trifluoroethyl N-[[4-[(2,4-dichlorophenyl)carbamoyl]phenyl]methyl]carbamate, 2,2,2-trifluoroethyl N-({4-[(2,4-dichlorophenyl)carbamoyl]phenyl}methyl)carbamate, 2,2,2-trifluoroethylN-({4-[(2,4-dichlorophenyl)carbamoyl]phenyl}methyl)carbamate
| Molecular Formula | C17H13Cl2F3N2O3 |
|---|---|
| Molecular Weight | 420.03 g/mol |
| LogP | 5.0342 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.02554 |
| Heavy Atoms | 27 |
| Complexity | 827.16364 |
Chemical Identifiers
| CAS Number | 860649-85-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)OCC(F)(F)F)C(=O)NC2=C(C=C(C=C2)Cl)Cl |
Product Overview
2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate (CAS 860649-85-0), with molecular formula C17H13Cl2F3N2O3 and molecular weight 420.03 g/mol. IUPAC: 2,2,2-trifluoroethyl N-[[4-[(2,4-dichlorophenyl)carbamoyl]phenyl]methyl]carbamate.
Chemical Property Profile of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate
Property Insights of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate
The XLogP value of 5.0342 indicates that 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate. Following Lipinski's Rule of Five, 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate?
The CAS number of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate is 860649-85-0.
What is the molecular formula of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate?
The molecular formula of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate is C17H13Cl2F3N2O3.
What is the molecular weight of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate?
The molecular weight of 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate is 420.03 g/mol.
Where can I buy 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate?
You can request a quote for 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoroethyl N-{4-[(2,4-dichloroanilino)carbonyl]benzyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.