1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine
TL;DR: 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine (CAS 77917-69-2) is a chemical compound with molecular formula C21H29N3O4 and molecular weight 387.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-acetyl-N-[4-[(4-hexyl-2,3-dioxopiperazin-1-yl)methyl]phenyl]acetamide
Also Known As: 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine, 1-(4-Diacetylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine, N-Acetyl-N-(4-((4-hexyl-2,3-dioxo-1-piperazinyl)methyl)phenyl)acetamide, Acetamide, N-acetyl-N-(4-((4-hexyl-2,3-dioxo-1-piperazinyl)methyl)phenyl)-, N-Acetyl-N-{4-[(4-hexyl-2,3-dioxo-1-piperazinyl)methyl]phenyl}acetamide
| Molecular Formula | C21H29N3O4 |
|---|---|
| Molecular Weight | 387.22 g/mol |
| LogP | 2.3371 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.21582 |
| Heavy Atoms | 28 |
| Complexity | 715.67114 |
Chemical Identifiers
| CAS Number | 77917-69-2 |
|---|---|
| SMILES | CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N(C(=O)C)C(=O)C |
Product Overview
1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine (CAS 77917-69-2), with molecular formula C21H29N3O4 and molecular weight 387.22 g/mol. IUPAC: N-acetyl-N-[4-[(4-hexyl-2,3-dioxopiperazin-1-yl)methyl]phenyl]acetamide.
Chemical Property Profile of 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine
Property Insights of 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine
The XLogP value of 2.3371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine. Following Lipinski's Rule of Five, 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine has 0 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-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine?
The CAS number of 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine is 77917-69-2.
What is the molecular formula of 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine?
The molecular formula of 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine is C21H29N3O4.
What is the molecular weight of 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine?
The molecular weight of 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine is 387.22 g/mol.
Where can I buy 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine?
You can request a quote for 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.