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Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate
TL;DR: Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate (CAS 219765-85-2) is a chemical compound with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloro-2,5-dimethylphenyl)sulfanylacetate
Also Known As: Maybridge3_000357, IDI1_011744, ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate, Ethyl [(4-chloro-2,5-dimethylphenyl)sulfanyl]acetate, ethyl 2-(4-chloro-2,5-dimethylphenyl)sulfanylacetate
| Molecular Formula | C12H15ClO2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.61204 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.04813 |
| Heavy Atoms | 16 |
| Complexity | 390.8503 |
Chemical Identifiers
| CAS Number | 219765-85-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=C(C(=C1)C)Cl)C |
Product Overview
Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate (CAS 219765-85-2), with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol. IUPAC: ethyl 2-(4-chloro-2,5-dimethylphenyl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate
Property Insights of Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate
The XLogP value of 3.61204 indicates that Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate 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 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]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-[(4-chloro-2,5-dimethylphenyl)thio]acetate?
The CAS number of Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate is 219765-85-2.
What is the molecular formula of Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate?
The molecular formula of Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate is C12H15ClO2S.
What is the molecular weight of Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate?
The molecular weight of Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate is 258.05 g/mol.
Where can I buy Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate?
You can request a quote for Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]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-[(4-chloro-2,5-dimethylphenyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-chloro-2,5-dimethylphenyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.