Ethyl 2-chloro-2-(4-methoxyphenyl)acetate
TL;DR: Ethyl 2-chloro-2-(4-methoxyphenyl)acetate (CAS 75908-61-1) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-2-(4-methoxyphenyl)acetate
Also Known As: ethyl 2-chloro-2-(4-methoxyphenyl)acetate, ethyl chloro(4-methoxyphenyl)acetate, chloro-(4-methoxy-phenyl)-acetic acid ethyl ester, RefChem:342705
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 75908-61-1 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)OC)Cl |
| InChIKey | CHRYBAKLXFEWFI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-chloro-2-(4-methoxyphenyl)acetate (CAS 75908-61-1), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: ethyl 2-chloro-2-(4-methoxyphenyl)acetate.
Chemical Property Profile of Ethyl 2-chloro-2-(4-methoxyphenyl)acetate
Property Insights of Ethyl 2-chloro-2-(4-methoxyphenyl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-2-(4-methoxyphenyl)acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 2-chloro-2-(4-methoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-2-(4-methoxyphenyl)acetate 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 Ethyl 2-chloro-2-(4-methoxyphenyl)acetate?
The CAS number of Ethyl 2-chloro-2-(4-methoxyphenyl)acetate is 75908-61-1.
What is the molecular formula of Ethyl 2-chloro-2-(4-methoxyphenyl)acetate?
The molecular formula of Ethyl 2-chloro-2-(4-methoxyphenyl)acetate is C11H13ClO3.
What is the molecular weight of Ethyl 2-chloro-2-(4-methoxyphenyl)acetate?
The molecular weight of Ethyl 2-chloro-2-(4-methoxyphenyl)acetate is 228.06 g/mol.
Where can I buy Ethyl 2-chloro-2-(4-methoxyphenyl)acetate?
You can request a quote for Ethyl 2-chloro-2-(4-methoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-2-(4-methoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-2-(4-methoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.