1,4-Piperazinediacetic acid, diethyl ester
TL;DR: 1,4-Piperazinediacetic acid, diethyl ester (CAS 40479-48-9) is a chemical compound with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]acetate
Also Known As: 1,4-Piperazinediacetic acid, diethyl ester, ethyl 2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]acetate, diethyl 2,2'-(piperazine-1,4-diyl)diacetate, J2.356.870E, piperazine-1,4-diyl-bis-acetic acid diethyl ester
| Molecular Formula | C12H22N2O4 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.15796 |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 40479-48-9 |
|---|---|
| SMILES | CCOC(=O)CN1CCN(CC1)CC(=O)OCC |
| InChIKey | LSIMQYAGYOYVKJ-UHFFFAOYSA-N |
Product Overview
1,4-Piperazinediacetic acid, diethyl ester (CAS 40479-48-9), with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol. IUPAC: ethyl 2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]acetate.
Chemical Property Profile of 1,4-Piperazinediacetic acid, diethyl ester
Property Insights of 1,4-Piperazinediacetic acid, diethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Piperazinediacetic acid, diethyl ester. With a topological polar surface area (TPSA) of 59.1 Ų, 1,4-Piperazinediacetic acid, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Piperazinediacetic acid, diethyl 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, diethyl ester?
The CAS number of 1,4-Piperazinediacetic acid, diethyl ester is 40479-48-9.
What is the molecular formula of 1,4-Piperazinediacetic acid, diethyl ester?
The molecular formula of 1,4-Piperazinediacetic acid, diethyl ester is C12H22N2O4.
What is the molecular weight of 1,4-Piperazinediacetic acid, diethyl ester?
The molecular weight of 1,4-Piperazinediacetic acid, diethyl ester is 258.16 g/mol.
Where can I buy 1,4-Piperazinediacetic acid, diethyl ester?
You can request a quote for 1,4-Piperazinediacetic acid, diethyl 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, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Piperazinediacetic acid, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.