![1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane structure](/static/products/825/825607-69-0.png)
1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane
TL;DR: 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane (CAS 825607-69-0) is a chemical compound with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
Also Known As: 1-{[4-(2-naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane, AP-124/43238017, azepan-1-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone, azaperhydroepinyl 4-(2-naphthylsulfonyl)piperazinyl ketone
| Molecular Formula | C21H27N3O3S |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 3.1421 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.1773 |
| Heavy Atoms | 28 |
| Complexity | 944.2771 |
Chemical Identifiers
| CAS Number | 825607-69-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3 |
Product Overview
1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane (CAS 825607-69-0), with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol. IUPAC: azepan-1-yl-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane
Property Insights of 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane
The XLogP value of 3.1421 indicates that 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane. Following Lipinski's Rule of Five, 1-{[4-(2-Naphthylsulfonyl)-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-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane?
The CAS number of 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane is 825607-69-0.
What is the molecular formula of 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane?
The molecular formula of 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane is C21H27N3O3S.
What is the molecular weight of 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane?
The molecular weight of 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane is 401.18 g/mol.
Where can I buy 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane?
You can request a quote for 1-{[4-(2-Naphthylsulfonyl)-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-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{[4-(2-Naphthylsulfonyl)-1-piperazinyl]carbonyl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.