Nicametate
TL;DR: Nicametate (CAS 3099-52-3) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl pyridine-3-carboxylate
Also Known As: Nicametate, Nicametato, Nicametatum, Nicametat, Eucast
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3099-52-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CN=CC=C1 |
| InChIKey | JVWOCHRRAWHKLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicametate (CAS 3099-52-3), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 2-(diethylamino)ethyl pyridine-3-carboxylate.
Chemical Property Profile of Nicametate
Property Insights of Nicametate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicametate. With a topological polar surface area (TPSA) of 42.4 Ų, Nicametate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicametate 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 Nicametate?
The CAS number of Nicametate is 3099-52-3.
What is the molecular formula of Nicametate?
The molecular formula of Nicametate is C12H18N2O2.
What is the molecular weight of Nicametate?
The molecular weight of Nicametate is 222.14 g/mol.
Where can I buy Nicametate?
You can request a quote for Nicametate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicametate?
Yes, KEHONG BIO provides custom synthesis services for Nicametate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.