Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate
TL;DR: Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate (CAS 6104-89-8) is a chemical compound with molecular formula C11H11ClF3NO2 and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[2-chloro-5-(trifluoromethyl)phenyl]carbamate
Also Known As: isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate, Propan-2-yl N-[2-chloro-5-(trifluoromethyl)phenyl]carbamate, isopropyl n-(2-chloro-5-trifluoromethylphenyl)carbamate
| Molecular Formula | C11H11ClF3NO2 |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 4.3157 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.04303 |
| Heavy Atoms | 18 |
| Complexity | 446.40472 |
Chemical Identifiers
| CAS Number | 6104-89-8 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl |
Product Overview
Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate (CAS 6104-89-8), with molecular formula C11H11ClF3NO2 and molecular weight 281.04 g/mol. IUPAC: propan-2-yl N-[2-chloro-5-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate
Property Insights of Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate
The XLogP value of 4.3157 indicates that Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate 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 Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate?
The CAS number of Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate is 6104-89-8.
What is the molecular formula of Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate?
The molecular formula of Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate is C11H11ClF3NO2.
What is the molecular weight of Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate?
The molecular weight of Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate is 281.04 g/mol.
Where can I buy Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate?
You can request a quote for Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-chloro-5-(trifluoromethyl)phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.