2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸
TL;DR: 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 (CAS 104699-06-1) is a chemical compound with molecular formula C15H19ClO4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸
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
| Molecular Formula | C15H19ClO4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.0972 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 104699-06-1 |
|---|---|
| SMILES | C1C(O1)(CCCCCCOC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | NWSIRTXVYBEURF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 (CAS 104699-06-1), with molecular formula C15H19ClO4 and molecular weight 298.10 g/mol. IUPAC: 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylic acid.
Chemical Property Profile of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸
Property Insights of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸
The XLogP value of 3.6 indicates that 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 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-氯苯氧基)己基)环氧乙烷-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 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
Frequently Asked Questions
What is the CAS number of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸?
The CAS number of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 is 104699-06-1.
What is the molecular formula of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸?
The molecular formula of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 is C15H19ClO4.
What is the molecular weight of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸?
The molecular weight of 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 is 298.10 g/mol.
Where can I buy 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸?
You can request a quote for 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-(4-氯苯氧基)己基)环氧乙烷-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.