氯乙酸4-氯-2-乙基苯酯
TL;DR: 氯乙酸4-氯-2-乙基苯酯 (CAS 53347-19-6) is a chemical compound with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯乙酸4-氯-2-乙基苯酯
(4-chloro-2-ethylphenyl) 2-chloroacetate
Also Known As: Chloroacetic acid 4-chloro-2-ethylphenyl ester, 4-chloro-2-ethylphenyl 2-chloroacetate, 4-Chloro-2-ethylphenyl chloroacetate, (4-chloro-2-ethylphenyl) 2-chloroacetate, ACETIC ACID, CHLORO-, 4-CHLORO-2-ETHYLPHENYL ESTER
| Molecular Formula | C10H10Cl2O2 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.00578 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 53347-19-6 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)Cl)OC(=O)CCl |
| InChIKey | CFICYSDKCUGCIX-UHFFFAOYSA-N |
Product Overview
氯乙酸4-氯-2-乙基苯酯 (CAS 53347-19-6), with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol. IUPAC: (4-chloro-2-ethylphenyl) 2-chloroacetate.
Chemical Property Profile of 氯乙酸4-氯-2-乙基苯酯
Property Insights of 氯乙酸4-氯-2-乙基苯酯
The XLogP value of 3.7 indicates that 氯乙酸4-氯-2-乙基苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氯乙酸4-氯-2-乙基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯乙酸4-氯-2-乙基苯酯 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 氯乙酸4-氯-2-乙基苯酯?
The CAS number of 氯乙酸4-氯-2-乙基苯酯 is 53347-19-6.
What is the molecular formula of 氯乙酸4-氯-2-乙基苯酯?
The molecular formula of 氯乙酸4-氯-2-乙基苯酯 is C10H10Cl2O2.
What is the molecular weight of 氯乙酸4-氯-2-乙基苯酯?
The molecular weight of 氯乙酸4-氯-2-乙基苯酯 is 232.01 g/mol.
Where can I buy 氯乙酸4-氯-2-乙基苯酯?
You can request a quote for 氯乙酸4-氯-2-乙基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯乙酸4-氯-2-乙基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 氯乙酸4-氯-2-乙基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.