2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid
TL;DR: 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid (CAS 104699-06-1) is a chemical compound with molecular formula C15H19ClO4 and molecular weight 298.0972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid
Also Known As: 4-Cphoc, ETOMOXIR, 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid, B-827-33
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H19ClO4 |
| Molecular Weight | 298.0972 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.0972 Da |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
| SMILES | C1C(O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | NWSIRTXVYBEURF-UHFFFAOYSA-N |
Product Description
Applications: 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid is a pharmaceutical intermediate identified by CAS number 104699-06-1 and the molecular formula C15H19ClO4 and a molecular weight of 298.1 g/mol. Synonyms include 4-Cphoc and ETOMOXIR.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid
Property Insights of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid
The XLogP value of 3.6 indicates that 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid?
The CAS number of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid is 104699-06-1.
What is the molecular formula of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid?
The molecular formula of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid is C15H19ClO4.
What is the molecular weight of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid?
The molecular weight of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid is 298.0972 g/mol.
What are the applications of 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid?
2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid?
You can request a quote for 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-(6-(4-Chlorophenoxy)hexyl)oxirane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.