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Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate
TL;DR: Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate (CAS 61580-29-8) 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.
pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate
Also Known As: pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate, PENTYL 2-(3-OXO-3-PHENYLPROPANAMIDO)BENZOATE, Benzoic acid, 2-[(1,3-dioxo-3-phenylpropyl)amino]-, pentyl ester
| Molecular Formula | C21H23NO4 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 4.2451 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.16272 |
| Heavy Atoms | 26 |
| Complexity | 755.6162 |
Chemical Identifiers
| CAS Number | 61580-29-8 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2 |
Product Overview
Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate (CAS 61580-29-8), with molecular formula C21H23NO4 and molecular weight 353.16 g/mol. IUPAC: pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate.
Chemical Property Profile of Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate
Property Insights of Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate
The XLogP value of 4.2451 indicates that Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate 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 Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate. Following Lipinski's Rule of Five, Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate 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 Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
The CAS number of Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate is 61580-29-8.
What is the molecular formula of Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
The molecular formula of Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate is C21H23NO4.
What is the molecular weight of Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
The molecular weight of Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate is 353.16 g/mol.
Where can I buy Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
You can request a quote for Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-[(3-oxo-3-phenylpropanoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.