![[4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone structure](/static/products/838/838868-86-3.png)
[4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone
TL;DR: [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone (CAS 838868-86-3) is a chemical compound with molecular formula C18H27N3O3S and molecular weight 365.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methylphenyl)methanone
Also Known As: BAS 11404239, [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone, 1-{[4-(3-methylbenzoyl)-1-piperazinyl]sulfonyl}azepane, 4-(azaperhydroepinylsulfonyl)piperazinyl 3-methylphenyl ketone, [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methylphenyl)methanone
| Molecular Formula | C18H27N3O3S |
|---|---|
| Molecular Weight | 365.18 g/mol |
| LogP | 1.87362 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1773 |
| Heavy Atoms | 25 |
| Complexity | 704.03143 |
Chemical Identifiers
| CAS Number | 838868-86-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3 |
Product Overview
[4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone (CAS 838868-86-3), with molecular formula C18H27N3O3S and molecular weight 365.18 g/mol. IUPAC: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methylphenyl)methanone.
Chemical Property Profile of [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone
Property Insights of [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone
The XLogP value of 1.87362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone. Following Lipinski's Rule of Five, [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone 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 [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone?
The CAS number of [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone is 838868-86-3.
What is the molecular formula of [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone?
The molecular formula of [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone is C18H27N3O3S.
What is the molecular weight of [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone?
The molecular weight of [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone is 365.18 g/mol.
Where can I buy [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone?
You can request a quote for [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(Azepane-1-sulfonyl)-piperazin-1-yl]-m-tolyl-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.