埃卡瑞丁
TL;DR: 埃卡瑞丁 (CAS 658051-75-3) is a chemical compound with molecular formula C12H23NO3 and molecular weight 229.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
埃卡瑞丁
butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate
Also Known As: Icaridin, Picaridin, Bayrepel, Icaridine, Pikaridin
| Molecular Formula | C12H23NO3 |
|---|---|
| Molecular Weight | 229.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.1678 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
| Melting Point | < -170 |
| Boiling Point | 208 |
| Density | 1.07 at 20 °C |
| Solubility | Insoluble |
| Vapor Pressure | 0.00044 [mmHg] |
| Refractive Index | = 1.4717 at 20 °C |
Chemical Identifiers
| CAS Number | 658051-75-3 |
|---|---|
| SMILES | CCC(C)OC(=O)N1CCCCC1CCO |
| InChIKey | QLHULAHOXSSASE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
埃卡瑞丁 (CAS 658051-75-3), with molecular formula C12H23NO3 and molecular weight 229.17 g/mol. IUPAC: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate.
Chemical Property Profile of 埃卡瑞丁
Property Insights of 埃卡瑞丁
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 埃卡瑞丁. With a topological polar surface area (TPSA) of 49.8 Ų, 埃卡瑞丁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 埃卡瑞丁 has 1 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 埃卡瑞丁?
The CAS number of 埃卡瑞丁 is 658051-75-3.
What is the molecular formula of 埃卡瑞丁?
The molecular formula of 埃卡瑞丁 is C12H23NO3.
What is the molecular weight of 埃卡瑞丁?
The molecular weight of 埃卡瑞丁 is 229.17 g/mol.
Where can I buy 埃卡瑞丁?
You can request a quote for 埃卡瑞丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 埃卡瑞丁?
Yes, KEHONG BIO provides custom synthesis services for 埃卡瑞丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.