Metbufen
TL;DR: Metbufen (CAS 63472-04-8) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-oxo-4-(4-phenylphenyl)butanoic acid
Also Known As: Metbufen, Metbufene, Metbufenum, Metbufeno, Metbufen [INN]
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 63472-04-8 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O |
| InChIKey | FDRDUFLWFSLNFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metbufen (CAS 63472-04-8), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: 2-methyl-4-oxo-4-(4-phenylphenyl)butanoic acid.
Chemical Property Profile of Metbufen
Property Insights of Metbufen
The XLogP value of 3.4 indicates that Metbufen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Metbufen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metbufen has 1 hydrogen bond donor(s) and 3 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 Metbufen?
The CAS number of Metbufen is 63472-04-8.
What is the molecular formula of Metbufen?
The molecular formula of Metbufen is C17H16O3.
What is the molecular weight of Metbufen?
The molecular weight of Metbufen is 268.11 g/mol.
Where can I buy Metbufen?
You can request a quote for Metbufen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metbufen?
Yes, KEHONG BIO provides custom synthesis services for Metbufen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.