Fenbufen Impurity 13
TL;DR: Fenbufen Impurity 13 (CAS 6918-68-9) is a chemical compound with molecular formula C20H18O6 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(3-carboxypropanoyl)phenyl]phenyl]-4-oxobutanoic acid
Also Known As: Fenbufen Impurity 6, Fenbufen Impurity 13, Sodium Phenylbutyrate Impurity 7, 4,4'-([1,1'-biphenyl]-4,4'-diyl)bis(4-oxobutanoic acid), 4-[4-[4-(3-carboxypropanoyl)phenyl]phenyl]-4-oxo-butanoic Acid
| Molecular Formula | C20H18O6 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 3.4486 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.11035 |
| Heavy Atoms | 26 |
| Complexity | 746.8848 |
Chemical Identifiers
| CAS Number | 6918-68-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)CCC(=O)O)C(=O)CCC(=O)O |
Product Overview
Fenbufen Impurity 13 (CAS 6918-68-9), with molecular formula C20H18O6 and molecular weight 354.11 g/mol. IUPAC: 4-[4-[4-(3-carboxypropanoyl)phenyl]phenyl]-4-oxobutanoic acid.
Chemical Property Profile of Fenbufen Impurity 13
Property Insights of Fenbufen Impurity 13
The XLogP value of 3.4486 indicates that Fenbufen Impurity 13 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Fenbufen Impurity 13. Following Lipinski's Rule of Five, Fenbufen Impurity 13 has 2 hydrogen bond donor(s) and 4 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 Fenbufen Impurity 13?
The CAS number of Fenbufen Impurity 13 is 6918-68-9.
What is the molecular formula of Fenbufen Impurity 13?
The molecular formula of Fenbufen Impurity 13 is C20H18O6.
What is the molecular weight of Fenbufen Impurity 13?
The molecular weight of Fenbufen Impurity 13 is 354.11 g/mol.
Where can I buy Fenbufen Impurity 13?
You can request a quote for Fenbufen Impurity 13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fenbufen Impurity 13?
Yes, KEHONG BIO provides custom synthesis services for Fenbufen Impurity 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.