Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate
TL;DR: Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate (CAS 7498-59-1) is a chemical compound with molecular formula C12H13Cl3O2 and molecular weight 294.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate
Also Known As: ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate, 3,3,3-trichloro-2-p-tolyl-propionic acid ethyl ester
| Molecular Formula | C12H13Cl3O2 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.9981 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 7498-59-1 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)C)C(Cl)(Cl)Cl |
| InChIKey | LIKPMHGQIHRDFG-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate (CAS 7498-59-1), with molecular formula C12H13Cl3O2 and molecular weight 294.00 g/mol. IUPAC: ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate
Property Insights of Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate
The XLogP value of 4.3 indicates that Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate has 0 hydrogen bond donor(s) and 2 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 3,3,3-trichloro-2-(4-methylphenyl)propanoate?
The CAS number of Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate is 7498-59-1.
What is the molecular formula of Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate?
The molecular formula of Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate is C12H13Cl3O2.
What is the molecular weight of Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate?
The molecular weight of Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate is 294.00 g/mol.
Where can I buy Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate?
You can request a quote for Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trichloro-2-(4-methylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.