Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-
TL;DR: Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- (CAS 133804-50-9) 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.
2-piperazin-1-yl-5-propan-2-ylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-, 2-piperazin-1-yl-5-propan-2-ylbenzenesulfonic acid, 2-piperazin-1-yl-5-propan-2-yl-benzenesulfonic Acid, Benzenesulfonic acid,5-(1-methylethyl)-2-(1-piperazinyl), 2-(Piperazin-1-yl)-5-(propan-2-yl)benzene-1-sulfonic acid
| Molecular Formula | C13H20N2O3S |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 1.4663 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.11948 |
| Heavy Atoms | 19 |
| Complexity | 549.0068 |
Chemical Identifiers
| CAS Number | 133804-50-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O |
Product Overview
Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- (CAS 133804-50-9), with molecular formula C13H20N2O3S and molecular weight 284.12 g/mol. IUPAC: 2-piperazin-1-yl-5-propan-2-ylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-
Property Insights of Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-
The XLogP value of 1.4663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- has 2 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 Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-?
The CAS number of Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- is 133804-50-9.
What is the molecular formula of Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-?
The molecular formula of Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- is C13H20N2O3S.
What is the molecular weight of Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-?
The molecular weight of Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- is 284.12 g/mol.
Where can I buy Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-?
You can request a quote for Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 5-(1-methylethyl)-2-(1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.