BRIFENTANIL HYDROCHLORIDE
TL;DR: BRIFENTANIL HYDROCHLORIDE (CAS 117268-95-8) is a chemical compound with molecular formula C20H30ClFN6O3 and molecular weight 456.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide;hydrochloride
Also Known As: BRIFENTANIL HYDROCHLORIDE, Brifentanil (hydrochloride), Brifentanil hydrochloride [USAN], A 3331, A-3331
| Molecular Formula | C20H30ClFN6O3 |
|---|---|
| Molecular Weight | 456.21 g/mol |
| LogP | 1.41 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.2052 |
| Heavy Atoms | 31 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 117268-95-8 |
|---|---|
| SMILES | CCN1C(=O)N(N=N1)CCN2CC[C@@H]([C@@H](C2)C)N(C3=CC=CC=C3F)C(=O)COC.Cl |
| InChIKey | VHXNDLUDRKRBCQ-KALLACGZSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BRIFENTANIL HYDROCHLORIDE (CAS 117268-95-8), with molecular formula C20H30ClFN6O3 and molecular weight 456.21 g/mol. IUPAC: N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide;hydrochloride.
Chemical Property Profile of BRIFENTANIL HYDROCHLORIDE
Property Insights of BRIFENTANIL HYDROCHLORIDE
The XLogP value of 1.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRIFENTANIL HYDROCHLORIDE. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BRIFENTANIL HYDROCHLORIDE. Following Lipinski's Rule of Five, BRIFENTANIL HYDROCHLORIDE has 1 hydrogen bond donor(s) and 7 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 BRIFENTANIL HYDROCHLORIDE?
The CAS number of BRIFENTANIL HYDROCHLORIDE is 117268-95-8.
What is the molecular formula of BRIFENTANIL HYDROCHLORIDE?
The molecular formula of BRIFENTANIL HYDROCHLORIDE is C20H30ClFN6O3.
What is the molecular weight of BRIFENTANIL HYDROCHLORIDE?
The molecular weight of BRIFENTANIL HYDROCHLORIDE is 456.21 g/mol.
Where can I buy BRIFENTANIL HYDROCHLORIDE?
You can request a quote for BRIFENTANIL HYDROCHLORIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRIFENTANIL HYDROCHLORIDE?
Yes, KEHONG BIO provides custom synthesis services for BRIFENTANIL HYDROCHLORIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.