1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate
TL;DR: 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate (CAS 257287-72-2) is a chemical compound with molecular formula C12H9Cl3F3NO2 and molecular weight 360.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,1-trifluoro-3-phenylpropan-2-yl) N-(1,2,2-trichloroethenyl)carbamate
Also Known As: 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate, (1,1,1-trifluoro-3-phenylpropan-2-yl) N-(1,2,2-trichloroethenyl)carbamate, 1,1,1-trifluoro-3-phenylpropan-2-yl N-(trichloroethenyl)carbamate
| Molecular Formula | C12H9Cl3F3NO2 |
|---|---|
| Molecular Weight | 360.97 g/mol |
| LogP | 4.7292 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.9651 |
| Heavy Atoms | 21 |
| Complexity | 516.229 |
Chemical Identifiers
| CAS Number | 257287-72-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(F)(F)F)OC(=O)NC(=C(Cl)Cl)Cl |
Product Overview
1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate (CAS 257287-72-2), with molecular formula C12H9Cl3F3NO2 and molecular weight 360.97 g/mol. IUPAC: (1,1,1-trifluoro-3-phenylpropan-2-yl) N-(1,2,2-trichloroethenyl)carbamate.
Chemical Property Profile of 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate
Property Insights of 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate
The XLogP value of 4.7292 indicates that 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate has 1 hydrogen bond donor(s) and 2 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 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate?
The CAS number of 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate is 257287-72-2.
What is the molecular formula of 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate?
The molecular formula of 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate is C12H9Cl3F3NO2.
What is the molecular weight of 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate?
The molecular weight of 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate is 360.97 g/mol.
Where can I buy 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate?
You can request a quote for 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-2,2,2-trifluoroethyl N-(1,2,2-trichlorovinyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.