![Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester structure](/static/products/6158/61580-28-7.webp)
Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester
TL;DR: Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester (CAS 61580-28-7) is a chemical compound with molecular formula C25H31NO4 and molecular weight 409.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 4-[(3-oxo-3-phenylpropanoyl)amino]benzoate
Also Known As: Benzoic acid,2-nitro-,heptyl ester, nonyl 4-[(3-oxo-3-phenylpropanoyl)amino]benzoate, Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester, NONYL 4-(3-OXO-3-PHENYLPROPANAMIDO)BENZOATE, Nonyl 4-[(3-oxo-3-phenyl-propanoyl)amino]benzoate
| Molecular Formula | C25H31NO4 |
|---|---|
| Molecular Weight | 409.23 g/mol |
| LogP | 5.8055 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 409.2253 |
| Heavy Atoms | 30 |
| Complexity | 799.65814 |
Chemical Identifiers
| CAS Number | 61580-28-7 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC(=O)C2=CC=CC=C2 |
Product Overview
Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester (CAS 61580-28-7), with molecular formula C25H31NO4 and molecular weight 409.23 g/mol. IUPAC: nonyl 4-[(3-oxo-3-phenylpropanoyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester
Property Insights of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester
The XLogP value of 5.8055 indicates that Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester?
The CAS number of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester is 61580-28-7.
What is the molecular formula of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester?
The molecular formula of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester is C25H31NO4.
What is the molecular weight of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester?
The molecular weight of Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester is 409.23 g/mol.
Where can I buy Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester?
You can request a quote for Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl 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, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(1,3-dioxo-3-phenylpropyl)amino]-, nonyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.