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Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate
TL;DR: Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate (CAS 22950-47-6) is a chemical compound with molecular formula C11H9F6NO2 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3,5-bis(trifluoromethyl)phenyl]carbamate
Also Known As: Maybridge1_007647, ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate, ethyl N-[3,5-bis(trifluoromethyl)phenyl]carbamate, ethyl [3,5-bis(trifluoromethyl)phenyl]carbamate, BRD-K87790603-001-01-6
| Molecular Formula | C11H9F6NO2 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05374 |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 22950-47-6 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| InChIKey | YKCQHKCQSDPUOL-UHFFFAOYSA-N |
Product Overview
Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate (CAS 22950-47-6), with molecular formula C11H9F6NO2 and molecular weight 301.05 g/mol. IUPAC: ethyl N-[3,5-bis(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate
Property Insights of Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate
The XLogP value of 4.5 indicates that Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate has 1 hydrogen bond donor(s) and 8 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 Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate?
The CAS number of Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate is 22950-47-6.
What is the molecular formula of Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate?
The molecular formula of Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate is C11H9F6NO2.
What is the molecular weight of Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate?
The molecular weight of Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate is 301.05 g/mol.
Where can I buy Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate?
You can request a quote for Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl n-[3,5-di(trifluoromethyl)phenyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.