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Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate
TL;DR: Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate (CAS 1043445-60-8) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
Also Known As: benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate, benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate, benzyl 2-(1-(2-(3,5-dimethylphenoxy)acetyl)-3-oxopiperazin-2-yl)acetate, Benzyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate, benzyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 2.14274 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 892.8144 |
Chemical Identifiers
| CAS Number | 1043445-60-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)C |
Product Overview
Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate (CAS 1043445-60-8), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: benzyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate
Property Insights of Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate
The XLogP value of 2.14274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate. Following Lipinski's Rule of Five, Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate has 1 hydrogen bond donor(s) and 5 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 Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate?
The CAS number of Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate is 1043445-60-8.
What is the molecular formula of Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate?
The molecular formula of Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate is C23H26N2O5.
What is the molecular weight of Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate?
The molecular weight of Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate is 410.18 g/mol.
Where can I buy Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate?
You can request a quote for Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl {1-[(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.