Frabuprofen hydrochloride
TL;DR: Frabuprofen hydrochloride (CAS 98207-15-9) is a chemical compound with molecular formula C26H34ClF3N2O2 and molecular weight 498.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
Also Known As: Frabuprofen HCl, Frabuprofen hydrochloride, 2-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)ethyl 2-(4-isobutylphenyl)propionate HCl, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl ester, monohydrochloride, BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, 2-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)ETHYL ESTER, HYDROCHLORIDE (1:1)
| Molecular Formula | C26H34ClF3N2O2 |
|---|---|
| Molecular Weight | 498.23 g/mol |
| LogP | 5.7946 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.2261 |
| Heavy Atoms | 34 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 98207-15-9 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F.Cl |
| InChIKey | DWLLAIYCNJBOMX-UHFFFAOYSA-N |
Product Overview
Frabuprofen hydrochloride (CAS 98207-15-9), with molecular formula C26H34ClF3N2O2 and molecular weight 498.23 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride.
Chemical Property Profile of Frabuprofen hydrochloride
Property Insights of Frabuprofen hydrochloride
The XLogP value of 5.7946 indicates that Frabuprofen hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Frabuprofen hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Frabuprofen hydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Frabuprofen hydrochloride?
The CAS number of Frabuprofen hydrochloride is 98207-15-9.
What is the molecular formula of Frabuprofen hydrochloride?
The molecular formula of Frabuprofen hydrochloride is C26H34ClF3N2O2.
What is the molecular weight of Frabuprofen hydrochloride?
The molecular weight of Frabuprofen hydrochloride is 498.23 g/mol.
Where can I buy Frabuprofen hydrochloride?
You can request a quote for Frabuprofen hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Frabuprofen hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Frabuprofen hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.