2-苯氧基乙酸乙酯
TL;DR: 2-苯氧基乙酸乙酯 (CAS 2555-49-9) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯氧基乙酸乙酯
ethyl 2-phenoxyacetate
Also Known As: ethyl 2-phenoxyacetate, ETHYL PHENOXYACETATE, Phenoxyacetic Acid Ethyl Ester, Ethyl2-phenoxyacetate, Acetic acid, phenoxy-, ethyl ester
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 2555-49-9 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC=C1 |
| InChIKey | MGZFVSUXQXCEHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯氧基乙酸乙酯 (CAS 2555-49-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: ethyl 2-phenoxyacetate.
Chemical Property Profile of 2-苯氧基乙酸乙酯
Property Insights of 2-苯氧基乙酸乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯氧基乙酸乙酯. With a topological polar surface area (TPSA) of 35.5 Ų, 2-苯氧基乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-苯氧基乙酸乙酯?
The CAS number of 2-苯氧基乙酸乙酯 is 2555-49-9.
What is the molecular formula of 2-苯氧基乙酸乙酯?
The molecular formula of 2-苯氧基乙酸乙酯 is C10H12O3.
What is the molecular weight of 2-苯氧基乙酸乙酯?
The molecular weight of 2-苯氧基乙酸乙酯 is 180.08 g/mol.
Where can I buy 2-苯氧基乙酸乙酯?
You can request a quote for 2-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 2-苯氧基乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-苯氧基乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.