(4-Benzyl-piperazin-1-yl)-acetic acid
TL;DR: (4-Benzyl-piperazin-1-yl)-acetic acid (CAS 119875-69-3) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)acetic acid
Also Known As: (4-Benzyl-piperazin-1-yl)-acetic acid, 2-(4-benzylpiperazin-1-yl)acetic acid, (4-benzylpiperazin-1-yl)acetic acid, 4-benzylpiperazinoacetic acid, 4-(phenylmethyl)-1-Piperazineacetic acid
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 0.8888 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 358.94202 |
Chemical Identifiers
| CAS Number | 119875-69-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC(=O)O |
Product Overview
(4-Benzyl-piperazin-1-yl)-acetic acid (CAS 119875-69-3), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)acetic acid.
Chemical Property Profile of (4-Benzyl-piperazin-1-yl)-acetic acid
Property Insights of (4-Benzyl-piperazin-1-yl)-acetic acid
The XLogP value of 0.8888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzyl-piperazin-1-yl)-acetic acid. With a topological polar surface area (TPSA) of 43.78 Ų, (4-Benzyl-piperazin-1-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzyl-piperazin-1-yl)-acetic acid has 1 hydrogen bond donor(s) and 3 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 (4-Benzyl-piperazin-1-yl)-acetic acid?
The CAS number of (4-Benzyl-piperazin-1-yl)-acetic acid is 119875-69-3.
What is the molecular formula of (4-Benzyl-piperazin-1-yl)-acetic acid?
The molecular formula of (4-Benzyl-piperazin-1-yl)-acetic acid is C13H18N2O2.
What is the molecular weight of (4-Benzyl-piperazin-1-yl)-acetic acid?
The molecular weight of (4-Benzyl-piperazin-1-yl)-acetic acid is 234.14 g/mol.
Where can I buy (4-Benzyl-piperazin-1-yl)-acetic acid?
You can request a quote for (4-Benzyl-piperazin-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzyl-piperazin-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzyl-piperazin-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.