ethyl N-(2,4,5-trifluorophenyl)carbamate
TL;DR: ethyl N-(2,4,5-trifluorophenyl)carbamate (CAS 22931-93-7) is a chemical compound with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2,4,5-trifluorophenyl)carbamate
Also Known As: ethyl(2,4,5-trifluorophenyl)carbamate, ethyl N-(2,4,5-trifluorophenyl)carbamate, Ethyl hydrogen (2,4,5-trifluorophenyl)carbonimidate, Carbamic acid, (2,4,5-trifluorophenyl)-, ethyl ester, Carbanilic acid, 2,4,5-trifluoro-, ethyl ester (7CI,8CI)
| Molecular Formula | C9H8F3NO2 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05072 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 22931-93-7 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=C(C=C1F)F)F |
| InChIKey | QDDGWVICYBTNKX-UHFFFAOYSA-N |
Product Overview
ethyl N-(2,4,5-trifluorophenyl)carbamate (CAS 22931-93-7), with molecular formula C9H8F3NO2 and molecular weight 219.05 g/mol. IUPAC: ethyl N-(2,4,5-trifluorophenyl)carbamate.
Chemical Property Profile of ethyl N-(2,4,5-trifluorophenyl)carbamate
Property Insights of ethyl N-(2,4,5-trifluorophenyl)carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(2,4,5-trifluorophenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, ethyl N-(2,4,5-trifluorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(2,4,5-trifluorophenyl)carbamate 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 ethyl N-(2,4,5-trifluorophenyl)carbamate?
The CAS number of ethyl N-(2,4,5-trifluorophenyl)carbamate is 22931-93-7.
What is the molecular formula of ethyl N-(2,4,5-trifluorophenyl)carbamate?
The molecular formula of ethyl N-(2,4,5-trifluorophenyl)carbamate is C9H8F3NO2.
What is the molecular weight of ethyl N-(2,4,5-trifluorophenyl)carbamate?
The molecular weight of ethyl N-(2,4,5-trifluorophenyl)carbamate is 219.05 g/mol.
Where can I buy ethyl N-(2,4,5-trifluorophenyl)carbamate?
You can request a quote for ethyl N-(2,4,5-trifluorophenyl)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-(2,4,5-trifluorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2,4,5-trifluorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.