![Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester structure](/static/products/6158/61580-30-1.webp)
Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester
TL;DR: Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester (CAS 61580-30-1) is a chemical compound with molecular formula C21H23NO4 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate
Also Known As: 3-methylbutyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate, Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester, 3-METHYLBUTYL 2-(3-OXO-3-PHENYLPROPANAMIDO)BENZOATE
| Molecular Formula | C21H23NO4 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 4.101 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.16272 |
| Heavy Atoms | 26 |
| Complexity | 768.59033 |
Chemical Identifiers
| CAS Number | 61580-30-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2 |
Product Overview
Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester (CAS 61580-30-1), with molecular formula C21H23NO4 and molecular weight 353.16 g/mol. IUPAC: 3-methylbutyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester
Property Insights of Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester
The XLogP value of 4.101 indicates that Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl 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, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl 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-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester?
The CAS number of Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester is 61580-30-1.
What is the molecular formula of Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester?
The molecular formula of Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester is C21H23NO4.
What is the molecular weight of Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester?
The molecular weight of Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester is 353.16 g/mol.
Where can I buy Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester?
You can request a quote for Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl 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-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, 3-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.