Phenol, 4-chloro-2-ethyl-, acetate
TL;DR: Phenol, 4-chloro-2-ethyl-, acetate (CAS 53347-16-3) 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.
(4-chloro-2-ethylphenyl) acetate
Also Known As: 4-Chloro-2-ethylphenol acetate, Phenol, 4-chloro-2-ethyl-, acetate, (4-chloro-2-ethylphenyl) acetate, 4-Chloro-2-ethylphenyl acetate, Essigsaeure-(4-chlor-2-aethylphenylester)
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.8277 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 320.70084 |
Chemical Identifiers
| CAS Number | 53347-16-3 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)Cl)OC(=O)C |
Product Overview
Phenol, 4-chloro-2-ethyl-, acetate (CAS 53347-16-3), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: (4-chloro-2-ethylphenyl) acetate.
Chemical Property Profile of Phenol, 4-chloro-2-ethyl-, acetate
Property Insights of Phenol, 4-chloro-2-ethyl-, acetate
The XLogP value of 2.8277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 4-chloro-2-ethyl-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, 4-chloro-2-ethyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-chloro-2-ethyl-, acetate 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 Phenol, 4-chloro-2-ethyl-, acetate?
The CAS number of Phenol, 4-chloro-2-ethyl-, acetate is 53347-16-3.
What is the molecular formula of Phenol, 4-chloro-2-ethyl-, acetate?
The molecular formula of Phenol, 4-chloro-2-ethyl-, acetate is C10H11ClO2.
What is the molecular weight of Phenol, 4-chloro-2-ethyl-, acetate?
The molecular weight of Phenol, 4-chloro-2-ethyl-, acetate is 198.04 g/mol.
Where can I buy Phenol, 4-chloro-2-ethyl-, acetate?
You can request a quote for Phenol, 4-chloro-2-ethyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-chloro-2-ethyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-chloro-2-ethyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.