4-(Phenylmethyl)-1-piperazinepropanesulfonic acid
TL;DR: 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid (CAS 55098-70-9) is a chemical compound with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)propane-1-sulfonic acid
Also Known As: 1-Benzylpiperazine propanesulfate, Piperazine, 1-benzyl-, propanesulfate, 1-piperazinepropanesulfornicacid, 1-Piperazinepropanesulfonic acid, 4-benzyl-, 3-(4-benzylpiperazin-1-yl)propane-1-sulfonic acid
| Molecular Formula | C14H22N2O3S |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1351 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 55098-70-9 |
|---|---|
| SMILES | C1CN(CCN1CCCS(=O)(=O)O)CC2=CC=CC=C2 |
| InChIKey | COPMFUCJHBZEEX-UHFFFAOYSA-N |
Product Overview
4-(Phenylmethyl)-1-piperazinepropanesulfonic acid (CAS 55098-70-9), with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)propane-1-sulfonic acid.
Chemical Property Profile of 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid
Property Insights of 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid
The XLogP value of -1.5 indicates that 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid. Following Lipinski's Rule of Five, 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid has 1 hydrogen bond donor(s) and 5 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-(Phenylmethyl)-1-piperazinepropanesulfonic acid?
The CAS number of 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid is 55098-70-9.
What is the molecular formula of 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid?
The molecular formula of 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid is C14H22N2O3S.
What is the molecular weight of 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid?
The molecular weight of 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid is 298.14 g/mol.
Where can I buy 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid?
You can request a quote for 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylmethyl)-1-piperazinepropanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.