Flobufen
TL;DR: Flobufen (CAS 126005-97-8) is a chemical compound with molecular formula C17H14F2O3 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
Also Known As: Flobufen, VUFB 16066, FLOBUFEN, (+/-)-, Boc-L-Pyroglutamic acidbenzylester, 4-(2',4'-Difluoro-[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid
| Molecular Formula | C17H14F2O3 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.0911 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 126005-97-8 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)O |
| InChIKey | FIKVYIRIUOFLLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flobufen (CAS 126005-97-8), with molecular formula C17H14F2O3 and molecular weight 304.09 g/mol. IUPAC: 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid.
Chemical Property Profile of Flobufen
Property Insights of Flobufen
The XLogP value of 3.6 indicates that Flobufen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Flobufen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flobufen has 1 hydrogen bond donor(s) and 5 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 Flobufen?
The CAS number of Flobufen is 126005-97-8.
What is the molecular formula of Flobufen?
The molecular formula of Flobufen is C17H14F2O3.
What is the molecular weight of Flobufen?
The molecular weight of Flobufen is 304.09 g/mol.
Where can I buy Flobufen?
You can request a quote for Flobufen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flobufen?
Yes, KEHONG BIO provides custom synthesis services for Flobufen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.