1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine
TL;DR: 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine (CAS 713099-23-1) is a chemical compound with molecular formula C18H21IN2O2S and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
Also Known As: VU0048697-2, 1-(2,6-dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine, AB00011064-01, 1-(2,6-dimethylphenyl)-4-((4-iodophenyl)sulfonyl)piperazine, 1-(2,6-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
| Molecular Formula | C18H21IN2O2S |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 3.41894 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.03687 |
| Heavy Atoms | 24 |
| Complexity | 806.3473 |
Chemical Identifiers
| CAS Number | 713099-23-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)I |
Product Overview
1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine (CAS 713099-23-1), with molecular formula C18H21IN2O2S and molecular weight 456.04 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine
Property Insights of 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine
The XLogP value of 3.41894 indicates that 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine has 0 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 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine?
The CAS number of 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine is 713099-23-1.
What is the molecular formula of 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine?
The molecular formula of 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine is C18H21IN2O2S.
What is the molecular weight of 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine?
The molecular weight of 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine is 456.04 g/mol.
Where can I buy 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine?
You can request a quote for 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dimethylphenyl)-4-(4-iodobenzenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.