Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-
TL;DR: Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- (CAS 133804-45-2) is a chemical compound with molecular formula C11H13F3N2O3S and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperazin-1-yl-5-(trifluoromethyl)benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-, 2-piperazin-1-yl-5-(trifluoromethyl)benzenesulfonic Acid, Benzenesulfonic acid,2-(1-piperazinyl)-5-(trifluoromethyl), 2-(Piperazin-1-yl)-5-(trifluoromethyl)benzene-1-sulfonic acid
| Molecular Formula | C11H13F3N2O3S |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 1.3617 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0599 |
| Heavy Atoms | 20 |
| Complexity | 595.4212 |
Chemical Identifiers
| CAS Number | 133804-45-2 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)O |
Product Overview
Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- (CAS 133804-45-2), with molecular formula C11H13F3N2O3S and molecular weight 310.06 g/mol. IUPAC: 2-piperazin-1-yl-5-(trifluoromethyl)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-
Property Insights of Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-
The XLogP value of 1.3617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- 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, 2-(1-piperazinyl)-5-(trifluoromethyl)-?
The CAS number of Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- is 133804-45-2.
What is the molecular formula of Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-?
The molecular formula of Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- is C11H13F3N2O3S.
What is the molecular weight of Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-?
The molecular weight of Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- is 310.06 g/mol.
Where can I buy Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-?
You can request a quote for Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.