1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester
TL;DR: 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester (CAS 56701-25-8) is a chemical compound with molecular formula C16H28N2O5 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[4-(2-butoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetate
Also Known As: 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester, 2-Oxo-1,4-piperazinediacetic acid dibutyl ester, butyl 2-[4-(2-butoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetate, butyl 2-[4-(2-butoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetate
| Molecular Formula | C16H28N2O5 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 328.19983 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 56701-25-8 |
|---|---|
| SMILES | CCCCOC(=O)CN1CCN(C(=O)C1)CC(=O)OCCCC |
| InChIKey | WHLZLGCGYVGQEY-UHFFFAOYSA-N |
Product Overview
1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester (CAS 56701-25-8), with molecular formula C16H28N2O5 and molecular weight 328.20 g/mol. IUPAC: butyl 2-[4-(2-butoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetate.
Chemical Property Profile of 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester
Property Insights of 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester. Following Lipinski's Rule of Five, 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester has 0 hydrogen bond donor(s) and 6 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-Piperazinediacetic acid, 2-oxo-, dibutyl ester?
The CAS number of 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester is 56701-25-8.
What is the molecular formula of 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester?
The molecular formula of 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester is C16H28N2O5.
What is the molecular weight of 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester?
The molecular weight of 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester is 328.20 g/mol.
Where can I buy 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester?
You can request a quote for 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Piperazinediacetic acid, 2-oxo-, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.