Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate
TL;DR: Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate (CAS 490-66-4) is a chemical compound with molecular formula C10H8ClF3O3 and molecular weight 268.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate
Also Known As: methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate, Methyl 2-(2-chloro-1,1,2-trifluoro-ethoxy)benzoate, 2-(2-chloro-1,1,2-trifluoro-ethoxy)-benzoic acid methyl ester, 637-172-7, RefChem:813248
| Molecular Formula | C10H8ClF3O3 |
|---|---|
| Molecular Weight | 268.01 g/mol |
| LogP | 2.9792 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0114 |
| Heavy Atoms | 17 |
| Complexity | 409.53754 |
Chemical Identifiers
| CAS Number | 490-66-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OC(C(F)Cl)(F)F |
Product Overview
Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate (CAS 490-66-4), with molecular formula C10H8ClF3O3 and molecular weight 268.01 g/mol. IUPAC: methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate.
Chemical Property Profile of Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate
Property Insights of Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate
The XLogP value of 2.9792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate?
The CAS number of Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate is 490-66-4.
What is the molecular formula of Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate?
The molecular formula of Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate is C10H8ClF3O3.
What is the molecular weight of Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate?
The molecular weight of Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate is 268.01 g/mol.
Where can I buy Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate?
You can request a quote for Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-chloro-1,1,2-trifluoroethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.