Frabuprofen
TL;DR: Frabuprofen (CAS 86696-88-0) is a chemical compound with molecular formula C26H33F3N2O2 and molecular weight 462.25 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
Also Known As: Frabuprofen, frabuprofene, frabuprofeno, Frabuprofen [INN], frabuprofenum
| Molecular Formula | C26H33F3N2O2 |
|---|---|
| Molecular Weight | 462.25 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.24942 |
| Heavy Atoms | 33 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 86696-88-0 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | ROZHWGHNJMGUJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Frabuprofen (CAS 86696-88-0), with molecular formula C26H33F3N2O2 and molecular weight 462.25 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.
Chemical Property Profile of Frabuprofen
Property Insights of Frabuprofen
The XLogP value of 6.4 indicates that Frabuprofen 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Frabuprofen has 0 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?
The CAS number of Frabuprofen is 86696-88-0.
What is the molecular formula of Frabuprofen?
The molecular formula of Frabuprofen is C26H33F3N2O2.
What is the molecular weight of Frabuprofen?
The molecular weight of Frabuprofen is 462.25 g/mol.
Where can I buy Frabuprofen?
You can request a quote for Frabuprofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Frabuprofen?
Yes, KEHONG BIO provides custom synthesis services for Frabuprofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.