![Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate structure](/static/products/3390/339017-19-5.webp)
Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate
TL;DR: Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate (CAS 339017-19-5) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]benzoate
Also Known As: METHYL 3-[(3-OXO-2-PHENYLBUT-1-EN-1-YL)AMINO]BENZOATE, methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate, methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]benzoate
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.5152 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 705.28204 |
Chemical Identifiers
| CAS Number | 339017-19-5 |
|---|---|
| SMILES | CC(=O)C(=CNC1=CC=CC(=C1)C(=O)OC)C2=CC=CC=C2 |
Product Overview
Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate (CAS 339017-19-5), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: methyl 3-[(3-oxo-2-phenylbut-1-enyl)amino]benzoate.
Chemical Property Profile of Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate
Property Insights of Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate
The XLogP value of 3.5152 indicates that Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate has 1 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 Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate?
The CAS number of Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate is 339017-19-5.
What is the molecular formula of Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate?
The molecular formula of Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate is C18H17NO3.
What is the molecular weight of Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate?
The molecular weight of Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate is 295.12 g/mol.
Where can I buy Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate?
You can request a quote for Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-oxo-2-phenyl-1-butenyl)amino]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.