1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate
TL;DR: 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate (CAS 516470-27-2) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylbutan-2-yl) 3-acetamido-4-methylbenzoate
Also Known As: 1-benzoylpropyl 3-(acetylamino)-4-methylbenzoate, (1-oxo-1-phenylbutan-2-yl) 3-acetamido-4-methylbenzoate, 1-OXO-1-PHENYLBUTAN-2-YL 3-ACETAMIDO-4-METHYLBENZOATE
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.77172 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 783.5381 |
Chemical Identifiers
| CAS Number | 516470-27-2 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)C)NC(=O)C |
Product Overview
1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate (CAS 516470-27-2), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: (1-oxo-1-phenylbutan-2-yl) 3-acetamido-4-methylbenzoate.
Chemical Property Profile of 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate
Property Insights of 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate
The XLogP value of 3.77172 indicates that 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate 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 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate. Following Lipinski's Rule of Five, 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate 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 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate?
The CAS number of 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate is 516470-27-2.
What is the molecular formula of 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate?
The molecular formula of 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate is C20H21NO4.
What is the molecular weight of 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate?
The molecular weight of 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate is 339.15 g/mol.
Where can I buy 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate?
You can request a quote for 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoylpropyl 3-(acetylamino)-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.