![Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester structure](/static/products/7122/712274-46-9.webp)
Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester
TL;DR: Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester (CAS 712274-46-9) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
Also Known As: Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester, methyl 2-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate, Methyl 2-[(3-oxo-3-phenyl-prop-1-enyl)amino]benzoate, METHYL 2-[(3-OXO-3-PHENYLPROP-1-EN-1-YL)AMINO]BENZOATE
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.2817 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 662.74524 |
Chemical Identifiers
| CAS Number | 712274-46-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC=CC(=O)C2=CC=CC=C2 |
Product Overview
Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester (CAS 712274-46-9), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: methyl 2-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester
Property Insights of Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester
The XLogP value of 3.2817 indicates that Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester 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 Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester?
The CAS number of Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester is 712274-46-9.
What is the molecular formula of Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester?
The molecular formula of Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester is C17H15NO3.
What is the molecular weight of Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester?
The molecular weight of Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester is 281.11 g/mol.
Where can I buy Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester?
You can request a quote for Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[[(1Z)-3-oxo-3-phenyl-1-propenyl]amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.