![1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane structure](/static/products/876/876723-17-0.png)
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane
TL;DR: 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane (CAS 876723-17-0) is a chemical compound with molecular formula C18H29N3O2S and molecular weight 351.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylazepane
Also Known As: BAS 10303799, 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylazepane, VU0492469-1, 1-((4-(2,3-dimethylphenyl)piperazin-1-yl)sulfonyl)azepane, F3083-0202
| Molecular Formula | C18H29N3O2S |
|---|---|
| Molecular Weight | 351.20 g/mol |
| LogP | 2.54624 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.19806 |
| Heavy Atoms | 24 |
| Complexity | 658.8415 |
Chemical Identifiers
| CAS Number | 876723-17-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C |
Product Overview
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane (CAS 876723-17-0), with molecular formula C18H29N3O2S and molecular weight 351.20 g/mol. IUPAC: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylazepane.
Chemical Property Profile of 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane
Property Insights of 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane
The XLogP value of 2.54624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane. With a topological polar surface area (TPSA) of 43.86 Ų, 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane 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-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane?
The CAS number of 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane is 876723-17-0.
What is the molecular formula of 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane?
The molecular formula of 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane is C18H29N3O2S.
What is the molecular weight of 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane?
The molecular weight of 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane is 351.20 g/mol.
Where can I buy 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane?
You can request a quote for 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.