Trefentanil Hydrochloride
TL;DR: Trefentanil Hydrochloride (CAS 120656-93-1) is a chemical compound with molecular formula C25H32ClFN6O2 and molecular weight 502.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
Also Known As: TREFENTANIL HYDROCHLORIDE, Trefentanil, Trefentanil HCl, Trefentanil hydrochloride [USAN], A-3665 HYDROCHLORIDE
| Molecular Formula | C25H32ClFN6O2 |
|---|---|
| Molecular Weight | 502.23 g/mol |
| LogP | 3.46 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.22592 |
| Heavy Atoms | 35 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 120656-93-1 |
|---|---|
| SMILES | CCC(=O)N(C1=CC=CC=C1F)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)C4=CC=CC=C4.Cl |
| InChIKey | YMRJQYDWCFOMRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trefentanil Hydrochloride (CAS 120656-93-1), with molecular formula C25H32ClFN6O2 and molecular weight 502.23 g/mol. IUPAC: N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide;hydrochloride.
Chemical Property Profile of Trefentanil Hydrochloride
Property Insights of Trefentanil Hydrochloride
The XLogP value of 3.46 indicates that Trefentanil Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Trefentanil Hydrochloride. Following Lipinski's Rule of Five, Trefentanil Hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trefentanil Hydrochloride?
The CAS number of Trefentanil Hydrochloride is 120656-93-1.
What is the molecular formula of Trefentanil Hydrochloride?
The molecular formula of Trefentanil Hydrochloride is C25H32ClFN6O2.
What is the molecular weight of Trefentanil Hydrochloride?
The molecular weight of Trefentanil Hydrochloride is 502.23 g/mol.
Where can I buy Trefentanil Hydrochloride?
You can request a quote for Trefentanil Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trefentanil Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Trefentanil Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.