Isopropyl m-trifluoromethylcarbanilate
TL;DR: Isopropyl m-trifluoromethylcarbanilate (CAS 38775-63-2) is a chemical compound with molecular formula C11H12F3NO2 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: iso-Propyl m-trifluoromethylcarbanilate, Isopropyl m-trifluoromethylcarbanilate, Isopropylm-trifluoromethylcarbanilate, Isopropyl 3-(trifluoromethyl)carbanilate, propan-2-yl N-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C11H12F3NO2 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08202 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 38775-63-2 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | BXBUGIFDTNEDNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl m-trifluoromethylcarbanilate (CAS 38775-63-2), with molecular formula C11H12F3NO2 and molecular weight 247.08 g/mol. IUPAC: propan-2-yl N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Isopropyl m-trifluoromethylcarbanilate
Property Insights of Isopropyl m-trifluoromethylcarbanilate
The XLogP value of 3.5 indicates that Isopropyl m-trifluoromethylcarbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Isopropyl m-trifluoromethylcarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl m-trifluoromethylcarbanilate has 1 hydrogen bond donor(s) and 5 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 m-trifluoromethylcarbanilate?
The CAS number of Isopropyl m-trifluoromethylcarbanilate is 38775-63-2.
What is the molecular formula of Isopropyl m-trifluoromethylcarbanilate?
The molecular formula of Isopropyl m-trifluoromethylcarbanilate is C11H12F3NO2.
What is the molecular weight of Isopropyl m-trifluoromethylcarbanilate?
The molecular weight of Isopropyl m-trifluoromethylcarbanilate is 247.08 g/mol.
Where can I buy Isopropyl m-trifluoromethylcarbanilate?
You can request a quote for Isopropyl m-trifluoromethylcarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl m-trifluoromethylcarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl m-trifluoromethylcarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.