Dimethyl piperazine-1,4-dipropionate
TL;DR: Dimethyl piperazine-1,4-dipropionate (CAS 4038-90-8) 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.
methyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]propanoate
Also Known As: Dimethyl piperazine-1,4-dipropionate, dimethyl piperazine-1,4-dipropanoate, 1,4-Piperazinedipropionic acid, dimethyl ester, dimethyl 3,3'-piperazine-1,4-diyldipropanoate, 1,4-Bis[2-(methoxycarbonyl)ethyl]piperazine
| Molecular Formula | C12H22N2O4 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | -0.3 |
| 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 | 4038-90-8 |
|---|---|
| SMILES | COC(=O)CCN1CCN(CC1)CCC(=O)OC |
| InChIKey | ZNYIVYFFZCEWDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl piperazine-1,4-dipropionate (CAS 4038-90-8), with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol. IUPAC: methyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]propanoate.
Chemical Property Profile of Dimethyl piperazine-1,4-dipropionate
Property Insights of Dimethyl piperazine-1,4-dipropionate
The XLogP value of -0.3 indicates that Dimethyl piperazine-1,4-dipropionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, Dimethyl piperazine-1,4-dipropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl piperazine-1,4-dipropionate 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 Dimethyl piperazine-1,4-dipropionate?
The CAS number of Dimethyl piperazine-1,4-dipropionate is 4038-90-8.
What is the molecular formula of Dimethyl piperazine-1,4-dipropionate?
The molecular formula of Dimethyl piperazine-1,4-dipropionate is C12H22N2O4.
What is the molecular weight of Dimethyl piperazine-1,4-dipropionate?
The molecular weight of Dimethyl piperazine-1,4-dipropionate is 258.16 g/mol.
Where can I buy Dimethyl piperazine-1,4-dipropionate?
You can request a quote for Dimethyl piperazine-1,4-dipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl piperazine-1,4-dipropionate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl piperazine-1,4-dipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.