![1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane structure](/static/products/825/825607-67-8.png)
1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane
TL;DR: 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane (CAS 825607-67-8) is a chemical compound with molecular formula C19H29N3O3S and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
Also Known As: VU0508628-1, 1-({4-[(3,4-dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane, AP-124/43238015, azepan-1-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone, 1-[4-(3,4-dimethylbenzenesulfonyl)piperazine-1-carbonyl]azepane
| Molecular Formula | C19H29N3O3S |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 2.60574 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.19296 |
| Heavy Atoms | 26 |
| Complexity | 747.2929 |
Chemical Identifiers
| CAS Number | 825607-67-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N3CCCCCC3)C |
Product Overview
1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane (CAS 825607-67-8), with molecular formula C19H29N3O3S and molecular weight 379.19 g/mol. IUPAC: azepan-1-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
Chemical Property Profile of 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane
Property Insights of 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane
The XLogP value of 2.60574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane. Following Lipinski's Rule of Five, 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane 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-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane?
The CAS number of 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane is 825607-67-8.
What is the molecular formula of 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane?
The molecular formula of 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane is C19H29N3O3S.
What is the molecular weight of 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane?
The molecular weight of 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane is 379.19 g/mol.
Where can I buy 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane?
You can request a quote for 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}carbonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.