![1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane structure](/static/products/103/1030810-40-2.png)
1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane
TL;DR: 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane (CAS 1030810-40-2) is a chemical compound with molecular formula C20H28N2O3S and molecular weight 376.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
Also Known As: 1-[1-(2-phenylethenesulfonyl)piperidine-4-carbonyl]azepane
| Molecular Formula | C20H28N2O3S |
|---|---|
| Molecular Weight | 376.18 g/mol |
| LogP | 3.1017 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.18207 |
| Heavy Atoms | 26 |
| Complexity | 714.683 |
Chemical Identifiers
| CAS Number | 1030810-40-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3 |
Product Overview
1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane (CAS 1030810-40-2), with molecular formula C20H28N2O3S and molecular weight 376.18 g/mol. IUPAC: azepan-1-yl-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone.
Chemical Property Profile of 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane
Property Insights of 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane
The XLogP value of 3.1017 indicates that 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(2-Phenylethenesulfonyl)piperidine-4-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-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane?
The CAS number of 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane is 1030810-40-2.
What is the molecular formula of 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane?
The molecular formula of 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane is C20H28N2O3S.
What is the molecular weight of 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane?
The molecular weight of 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane is 376.18 g/mol.
Where can I buy 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane?
You can request a quote for 1-[1-(2-Phenylethenesulfonyl)piperidine-4-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-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(2-Phenylethenesulfonyl)piperidine-4-carbonyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.