Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate
TL;DR: Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate (CAS 78573-55-4) is a chemical compound with molecular formula C16H21ClO3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(4-chlorophenyl)pentyl]oxirane-2-carboxylate
Also Known As: Poca, Clomoxir ethyl, CPOC, Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate, ethyl2-(5- oxiran-2-carboxylate
| Molecular Formula | C16H21ClO3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 296.11792 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 78573-55-4 |
|---|---|
| SMILES | CCOC(=O)C1(CO1)CCCCCC2=CC=C(C=C2)Cl |
| InChIKey | DNORZUSMZSZZKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate (CAS 78573-55-4), with molecular formula C16H21ClO3 and molecular weight 296.12 g/mol. IUPAC: ethyl 2-[5-(4-chlorophenyl)pentyl]oxirane-2-carboxylate.
Chemical Property Profile of Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate
Property Insights of Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate
The XLogP value of 4.4 indicates that Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate 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 Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate?
The CAS number of Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate is 78573-55-4.
What is the molecular formula of Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate?
The molecular formula of Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate is C16H21ClO3.
What is the molecular weight of Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate?
The molecular weight of Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate is 296.12 g/mol.
Where can I buy Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate?
You can request a quote for Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.