3erk
TL;DR: 3erk (CAS 165806-53-1) is a chemical compound with molecular formula C18H19FN6 and molecular weight 338.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine
Also Known As: 3erk, sb 220025, 1bl7, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine, SDCCGGSK-0000296.P001
| Molecular Formula | C18H19FN6 |
|---|---|
| Molecular Weight | 338.17 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.16553 |
| Heavy Atoms | 25 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 165806-53-1 |
|---|---|
| SMILES | C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F |
| InChIKey | VSPFURGQAYMVAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3erk (CAS 165806-53-1), with molecular formula C18H19FN6 and molecular weight 338.17 g/mol. IUPAC: 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine.
Chemical Property Profile of 3erk
Property Insights of 3erk
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3erk. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3erk. Following Lipinski's Rule of Five, 3erk has 2 hydrogen bond donor(s) and 6 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 3erk?
The CAS number of 3erk is 165806-53-1.
What is the molecular formula of 3erk?
The molecular formula of 3erk is C18H19FN6.
What is the molecular weight of 3erk?
The molecular weight of 3erk is 338.17 g/mol.
Where can I buy 3erk?
You can request a quote for 3erk directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3erk?
Yes, KEHONG BIO provides custom synthesis services for 3erk and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.