4-氯-2-甲基苯氧基乙酸乙酯
TL;DR: 4-氯-2-甲基苯氧基乙酸乙酯 (CAS 2698-38-6) 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.
4-氯-2-甲基苯氧基乙酸乙酯
ethyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: MCPA-ethyl, Mcpa-ethyl ester, MCPA ethyl ester, Mcpee, MCPA-ethyl [ISO]
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 4.0 |
| 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 | 208.0 |
Chemical Identifiers
| CAS Number | 2698-38-6 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)Cl)C |
| InChIKey | OUYDEKFRLSFDMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-2-甲基苯氧基乙酸乙酯 (CAS 2698-38-6), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: ethyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of 4-氯-2-甲基苯氧基乙酸乙酯
Property Insights of 4-氯-2-甲基苯氧基乙酸乙酯
The XLogP value of 4.0 indicates that 4-氯-2-甲基苯氧基乙酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-氯-2-甲基苯氧基乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2-甲基苯氧基乙酸乙酯 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 4-氯-2-甲基苯氧基乙酸乙酯?
The CAS number of 4-氯-2-甲基苯氧基乙酸乙酯 is 2698-38-6.
What is the molecular formula of 4-氯-2-甲基苯氧基乙酸乙酯?
The molecular formula of 4-氯-2-甲基苯氧基乙酸乙酯 is C11H13ClO3.
What is the molecular weight of 4-氯-2-甲基苯氧基乙酸乙酯?
The molecular weight of 4-氯-2-甲基苯氧基乙酸乙酯 is 228.06 g/mol.
Where can I buy 4-氯-2-甲基苯氧基乙酸乙酯?
You can request a quote for 4-氯-2-甲基苯氧基乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2-甲基苯氧基乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2-甲基苯氧基乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.