Ethyl 4-chloro-3-trifluoromethylcarbanilate
TL;DR: Ethyl 4-chloro-3-trifluoromethylcarbanilate (CAS 18585-06-3) is a chemical compound with molecular formula C10H9ClF3NO2 and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
Also Known As: Ethyl 4-chloro-3-trifluoromethylcarbanilate, Ethyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate, Sorafenib impurity G, Boc-L-beta-homoisoleucine, Sorafenib related compound 2
| Molecular Formula | C10H9ClF3NO2 |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0274 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 18585-06-3 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F |
| InChIKey | BAFPGGUKCVCSKG-UHFFFAOYSA-N |
Product Overview
Ethyl 4-chloro-3-trifluoromethylcarbanilate (CAS 18585-06-3), with molecular formula C10H9ClF3NO2 and molecular weight 267.03 g/mol. IUPAC: ethyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Ethyl 4-chloro-3-trifluoromethylcarbanilate
Property Insights of Ethyl 4-chloro-3-trifluoromethylcarbanilate
The XLogP value of 4.1 indicates that Ethyl 4-chloro-3-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, Ethyl 4-chloro-3-trifluoromethylcarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-3-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 Ethyl 4-chloro-3-trifluoromethylcarbanilate?
The CAS number of Ethyl 4-chloro-3-trifluoromethylcarbanilate is 18585-06-3.
What is the molecular formula of Ethyl 4-chloro-3-trifluoromethylcarbanilate?
The molecular formula of Ethyl 4-chloro-3-trifluoromethylcarbanilate is C10H9ClF3NO2.
What is the molecular weight of Ethyl 4-chloro-3-trifluoromethylcarbanilate?
The molecular weight of Ethyl 4-chloro-3-trifluoromethylcarbanilate is 267.03 g/mol.
Where can I buy Ethyl 4-chloro-3-trifluoromethylcarbanilate?
You can request a quote for Ethyl 4-chloro-3-trifluoromethylcarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-3-trifluoromethylcarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-3-trifluoromethylcarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.