3-Ethylphenyl chloroacetate
TL;DR: 3-Ethylphenyl chloroacetate (CAS 54010-92-3) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethylphenyl) 2-chloroacetate
Also Known As: 3-ethylphenyl chloroacetate, (3-ethylphenyl) 2-chloroacetate, Chloroacetic acid, 3-ethylphenyl ester, 1,3-Dioxane,5-bromo-2-ethyl-5-nitro, Acetic acid, 2-chloro-,3-ethylphenyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 54010-92-3 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)OC(=O)CCl |
| InChIKey | YRHSYUNQLUKWJD-UHFFFAOYSA-N |
Product Overview
3-Ethylphenyl chloroacetate (CAS 54010-92-3), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: (3-ethylphenyl) 2-chloroacetate.
Chemical Property Profile of 3-Ethylphenyl chloroacetate
Property Insights of 3-Ethylphenyl chloroacetate
The XLogP value of 3.0 indicates that 3-Ethylphenyl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Ethylphenyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylphenyl chloroacetate 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 3-Ethylphenyl chloroacetate?
The CAS number of 3-Ethylphenyl chloroacetate is 54010-92-3.
What is the molecular formula of 3-Ethylphenyl chloroacetate?
The molecular formula of 3-Ethylphenyl chloroacetate is C10H11ClO2.
What is the molecular weight of 3-Ethylphenyl chloroacetate?
The molecular weight of 3-Ethylphenyl chloroacetate is 198.04 g/mol.
Where can I buy 3-Ethylphenyl chloroacetate?
You can request a quote for 3-Ethylphenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylphenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylphenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.