奥昔拉定
TL;DR: 奥昔拉定 (CAS 468-61-1) is a chemical compound with molecular formula C20H33NO3 and molecular weight 335.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥昔拉定
2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
Also Known As: Oxeladin, Oxeladina, Oxeladine, Oxeladinum, oxeladin citrate
| Molecular Formula | C20H33NO3 |
|---|---|
| Molecular Weight | 335.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 335.24603 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
| Melting Point | < 25 °C |
| Boiling Point | 150 |
| Solubility | 47.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 468-61-1 |
|---|---|
| SMILES | CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC |
| InChIKey | IQADUMSPOQKAAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥昔拉定 (CAS 468-61-1), with molecular formula C20H33NO3 and molecular weight 335.25 g/mol. IUPAC: 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate.
Chemical Property Profile of 奥昔拉定
Property Insights of 奥昔拉定
The XLogP value of 4.0 indicates that 奥昔拉定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 奥昔拉定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥昔拉定 has 0 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 奥昔拉定?
The CAS number of 奥昔拉定 is 468-61-1.
What is the molecular formula of 奥昔拉定?
The molecular formula of 奥昔拉定 is C20H33NO3.
What is the molecular weight of 奥昔拉定?
The molecular weight of 奥昔拉定 is 335.25 g/mol.
Where can I buy 奥昔拉定?
You can request a quote for 奥昔拉定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥昔拉定?
Yes, KEHONG BIO provides custom synthesis services for 奥昔拉定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.