Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 696603-31-3) is a chemical compound with molecular formula C11H10ClF3O4 and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate, A3563/0151162
| Molecular Formula | C11H10ClF3O4 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 2.27692 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.02197 |
| Heavy Atoms | 19 |
| Complexity | 492.14716 |
Chemical Identifiers
| CAS Number | 696603-31-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)Cl)C(C(=O)OC)(C(F)(F)F)O |
Product Overview
Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 696603-31-3), with molecular formula C11H10ClF3O4 and molecular weight 298.02 g/mol. IUPAC: methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 2.27692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate has 2 hydrogen bond donor(s) and 4 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-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 696603-31-3.
What is the molecular formula of Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is C11H10ClF3O4.
What is the molecular weight of Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 298.02 g/mol.
Where can I buy Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.