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Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate
TL;DR: Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate (CAS 1799-82-2) is a chemical compound with molecular formula C10H9F4NO2 and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-fluoro-5-(trifluoromethyl)phenyl]carbamate
Also Known As: ethyl[2-fluoro-5-(trifluoromethyl)phenyl]carbamate, ethyl N-[2-fluoro-5-(trifluoromethyl)phenyl]carbamate, Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate
| Molecular Formula | C10H9F4NO2 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.05695 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 1799-82-2 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=CC(=C1)C(F)(F)F)F |
| InChIKey | VOFNIJRORSGGQS-UHFFFAOYSA-N |
Product Overview
Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate (CAS 1799-82-2), with molecular formula C10H9F4NO2 and molecular weight 251.06 g/mol. IUPAC: ethyl N-[2-fluoro-5-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate
Property Insights of Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate
The XLogP value of 3.0 indicates that Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate 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 hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate has 1 hydrogen bond donor(s) and 6 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 hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate?
The CAS number of Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate is 1799-82-2.
What is the molecular formula of Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate?
The molecular formula of Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate is C10H9F4NO2.
What is the molecular weight of Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate?
The molecular weight of Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate is 251.06 g/mol.
Where can I buy Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate?
You can request a quote for Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydrogen [2-fluoro-5-(trifluoromethyl)phenyl]carbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.