5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid
TL;DR: 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid (CAS 698346-48-4) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(cyanomethyl)anilino]-5-oxo-3-phenylpentanoic acid
Also Known As: 4-{[4-(cyanomethyl)phenyl]carbamoyl}-3-phenylbutanoic acid, 5-[4-(cyanomethyl)anilino]-5-oxo-3-phenylpentanoic acid, 4-[[4-(cyanomethyl)phenyl]carbamoyl]-3-phenyl-butanoic Acid, 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.33978 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 733.4573 |
Chemical Identifiers
| CAS Number | 698346-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)CC#N)CC(=O)O |
Product Overview
5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid (CAS 698346-48-4), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: 5-[4-(cyanomethyl)anilino]-5-oxo-3-phenylpentanoic acid.
Chemical Property Profile of 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid
Property Insights of 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid
The XLogP value of 3.33978 indicates that 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid. Following Lipinski's Rule of Five, 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid has 2 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 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid?
The CAS number of 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid is 698346-48-4.
What is the molecular formula of 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid?
The molecular formula of 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid is C19H18N2O3.
What is the molecular weight of 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid?
The molecular weight of 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid is 322.13 g/mol.
Where can I buy 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid?
You can request a quote for 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.