1-(4-Acetyl-1,4-diazepan-1-yl)ethanone
TL;DR: 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone (CAS 548470-25-3) is a chemical compound with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-1,4-diazepan-1-yl)ethanone
Also Known As: 1,1'-(1,4-Diazepane-1,4-diyl)diethanone, 1-(4-acetyl-1,4-diazepan-1-yl)ethan-1-one, 1-(4-acetyl-1,4-diazepan-1-yl)ethanone, 1H-1,4-Diazepine,1,4-diacetylhexahydro-(9CI), 1H-1,4-Diazepine, 1,4-diacetylhexahydro- (9CI)
| Molecular Formula | C9H16N2O2 |
|---|---|
| Molecular Weight | 184.12 g/mol |
| LogP | 0.0871 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.12119 |
| Heavy Atoms | 13 |
| Complexity | 193.66025 |
Chemical Identifiers
| CAS Number | 548470-25-3 |
|---|---|
| SMILES | CC(=O)N1CCCN(CC1)C(=O)C |
Product Overview
1-(4-Acetyl-1,4-diazepan-1-yl)ethanone (CAS 548470-25-3), with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol. IUPAC: 1-(4-acetyl-1,4-diazepan-1-yl)ethanone.
Chemical Property Profile of 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone
Property Insights of 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone
The XLogP value of 0.0871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone has 0 hydrogen bond donor(s) and 2 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-Acetyl-1,4-diazepan-1-yl)ethanone?
The CAS number of 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone is 548470-25-3.
What is the molecular formula of 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone?
The molecular formula of 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone is C9H16N2O2.
What is the molecular weight of 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone?
The molecular weight of 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone is 184.12 g/mol.
Where can I buy 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone?
You can request a quote for 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Acetyl-1,4-diazepan-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.