![4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate structure](/static/products/4319/431939-77-4.webp)
4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate
TL;DR: 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate (CAS 431939-77-4) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-oxo-4-(1-phenylethylamino)butanoate
Also Known As: 4-methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate, AB00118591-01, (4-methylphenyl) 4-oxo-4-(1-phenylethylamino)butanoate, AN-329/40805488, p-tolyl 4-oxo-4-((1-phenylethyl)amino)butanoate
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.55802 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 650.07477 |
Chemical Identifiers
| CAS Number | 431939-77-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCC(=O)NC(C)C2=CC=CC=C2 |
Product Overview
4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate (CAS 431939-77-4), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: (4-methylphenyl) 4-oxo-4-(1-phenylethylamino)butanoate.
Chemical Property Profile of 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate
Property Insights of 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate
The XLogP value of 3.55802 indicates that 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate 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 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate?
The CAS number of 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate is 431939-77-4.
What is the molecular formula of 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate?
The molecular formula of 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate is C19H21NO3.
What is the molecular weight of 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate?
The molecular weight of 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate is 311.15 g/mol.
Where can I buy 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate?
You can request a quote for 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 4-oxo-4-[(1-phenylethyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.