1-Piperazinepropanesulfonic acid, 4-phenyl-
TL;DR: 1-Piperazinepropanesulfonic acid, 4-phenyl- (CAS 116275-18-4) is a chemical compound with molecular formula C13H20N2O3S and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylpiperazin-1-yl)propane-1-sulfonic acid
Also Known As: 1-Piperazinepropanesulfonic acid, 4-phenyl-, 3-(4-phenylpiperazin-1-yl)propane-1-sulfonic Acid, 1-Piperazinepropanesulfonic acid,4-phenyl, 3-(4-phenylpiperazin-1-yl)-1-propanesulfonic acid
| Molecular Formula | C13H20N2O3S |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 1.0865 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.11948 |
| Heavy Atoms | 19 |
| Complexity | 481.8696 |
Chemical Identifiers
| CAS Number | 116275-18-4 |
|---|---|
| SMILES | C1CN(CCN1CCCS(=O)(=O)O)C2=CC=CC=C2 |
Product Overview
1-Piperazinepropanesulfonic acid, 4-phenyl- (CAS 116275-18-4), with molecular formula C13H20N2O3S and molecular weight 284.12 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)propane-1-sulfonic acid.
Chemical Property Profile of 1-Piperazinepropanesulfonic acid, 4-phenyl-
Property Insights of 1-Piperazinepropanesulfonic acid, 4-phenyl-
The XLogP value of 1.0865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanesulfonic acid, 4-phenyl-. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinepropanesulfonic acid, 4-phenyl-. Following Lipinski's Rule of Five, 1-Piperazinepropanesulfonic acid, 4-phenyl- 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-Piperazinepropanesulfonic acid, 4-phenyl-?
The CAS number of 1-Piperazinepropanesulfonic acid, 4-phenyl- is 116275-18-4.
What is the molecular formula of 1-Piperazinepropanesulfonic acid, 4-phenyl-?
The molecular formula of 1-Piperazinepropanesulfonic acid, 4-phenyl- is C13H20N2O3S.
What is the molecular weight of 1-Piperazinepropanesulfonic acid, 4-phenyl-?
The molecular weight of 1-Piperazinepropanesulfonic acid, 4-phenyl- is 284.12 g/mol.
Where can I buy 1-Piperazinepropanesulfonic acid, 4-phenyl-?
You can request a quote for 1-Piperazinepropanesulfonic acid, 4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinepropanesulfonic acid, 4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanesulfonic acid, 4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.