1-(Piperazin-1-ylacetyl)azepane
TL;DR: 1-(Piperazin-1-ylacetyl)azepane (CAS 39890-47-6) is a chemical compound with molecular formula C12H23N3O and molecular weight 225.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-piperazin-1-ylethanone
Also Known As: 1-(piperazin-1-ylacetyl)azepane, 1-(azepan-1-yl)-2-(piperazin-1-yl)ethanone, 1-(azepan-1-yl)-2-(piperazin-1-yl)ethan-1-one, 1-(azepan-1-yl)-2-piperazin-1-ylethanone, BB_SC-3477
| Molecular Formula | C12H23N3O |
|---|---|
| Molecular Weight | 225.18 g/mol |
| LogP | 0.2942 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.18411 |
| Heavy Atoms | 16 |
| Complexity | 218.30376 |
Chemical Identifiers
| CAS Number | 39890-47-6 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CN2CCNCC2 |
Product Overview
1-(Piperazin-1-ylacetyl)azepane (CAS 39890-47-6), with molecular formula C12H23N3O and molecular weight 225.18 g/mol. IUPAC: 1-(azepan-1-yl)-2-piperazin-1-ylethanone.
Chemical Property Profile of 1-(Piperazin-1-ylacetyl)azepane
Property Insights of 1-(Piperazin-1-ylacetyl)azepane
The XLogP value of 0.2942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Piperazin-1-ylacetyl)azepane. With a topological polar surface area (TPSA) of 35.58 Ų, 1-(Piperazin-1-ylacetyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Piperazin-1-ylacetyl)azepane has 1 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-(Piperazin-1-ylacetyl)azepane?
The CAS number of 1-(Piperazin-1-ylacetyl)azepane is 39890-47-6.
What is the molecular formula of 1-(Piperazin-1-ylacetyl)azepane?
The molecular formula of 1-(Piperazin-1-ylacetyl)azepane is C12H23N3O.
What is the molecular weight of 1-(Piperazin-1-ylacetyl)azepane?
The molecular weight of 1-(Piperazin-1-ylacetyl)azepane is 225.18 g/mol.
Where can I buy 1-(Piperazin-1-ylacetyl)azepane?
You can request a quote for 1-(Piperazin-1-ylacetyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Piperazin-1-ylacetyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Piperazin-1-ylacetyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.