1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate
TL;DR: 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate (CAS 72461-59-7) is a chemical compound with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid
Also Known As: C16H24N2O3.1/2H2O, 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate, 4-(2-(Benzyloxy)ethyl)-1-piperazinepropionic acid hemihydrate, C16-H24-N2-O3.1/2H2-O, 3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid
| Molecular Formula | C16H24N2O3 |
|---|---|
| Molecular Weight | 292.18 g/mol |
| LogP | 1.2955 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 292.17868 |
| Heavy Atoms | 21 |
| Complexity | 416.79007 |
Chemical Identifiers
| CAS Number | 72461-59-7 |
|---|---|
| SMILES | C1CN(CCN1CCC(=O)O)CCOCC2=CC=CC=C2 |
Product Overview
1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate (CAS 72461-59-7), with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol. IUPAC: 3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid.
Chemical Property Profile of 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate
Property Insights of 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate
The XLogP value of 1.2955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate. With a topological polar surface area (TPSA) of 53.01 Ų, 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate has 1 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-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate?
The CAS number of 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate is 72461-59-7.
What is the molecular formula of 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate?
The molecular formula of 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate is C16H24N2O3.
What is the molecular weight of 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate?
The molecular weight of 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate is 292.18 g/mol.
Where can I buy 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate?
You can request a quote for 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropionic acid, 4-(2-(benzyloxy)ethyl)-, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.