2,2,2-Trifluoroethyl 4-chlorophenylcarbamate
TL;DR: 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate (CAS 782-94-5) is a chemical compound with molecular formula C9H7ClF3NO2 and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
Also Known As: 2,2,2-trifluoroethyl 4-chlorophenylcarbamate, 2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate, 2,2,2-Trifluoroethyl (4-chlorophenyl)carbamate, 2,2,2-TRIFLUOROETHYL4-CHLOROPHENYLCARBAMATE, 2,2,2-Trifluoroethyl(4-chlorophenyl)carbamate
| Molecular Formula | C9H7ClF3NO2 |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 3.4508 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01173 |
| Heavy Atoms | 16 |
| Complexity | 364.012 |
Chemical Identifiers
| CAS Number | 782-94-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)OCC(F)(F)F)Cl |
Product Overview
2,2,2-Trifluoroethyl 4-chlorophenylcarbamate (CAS 782-94-5), with molecular formula C9H7ClF3NO2 and molecular weight 253.01 g/mol. IUPAC: 2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate
Property Insights of 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate
The XLogP value of 3.4508 indicates that 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate 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 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate?
The CAS number of 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate is 782-94-5.
What is the molecular formula of 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate?
The molecular formula of 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate is C9H7ClF3NO2.
What is the molecular weight of 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate?
The molecular weight of 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate is 253.01 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate?
You can request a quote for 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate 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 4-chlorophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 4-chlorophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.