1-(Azepan-1-yl)butane-1,3-dione
TL;DR: 1-(Azepan-1-yl)butane-1,3-dione (CAS 78553-62-5) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)butane-1,3-dione
Also Known As: 1-(azepan-1-yl)butane-1,3-dione, N,N-Hexamethyleneacetoacetamide, 4-azepan-1-yl-4-oxobutan-2-one, 1-azaperhydroepinylbutane-1,3-dione
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 78553-62-5 |
|---|---|
| SMILES | CC(=O)CC(=O)N1CCCCCC1 |
| InChIKey | FVCYDMFGFDHYDW-UHFFFAOYSA-N |
Product Overview
1-(Azepan-1-yl)butane-1,3-dione (CAS 78553-62-5), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: 1-(azepan-1-yl)butane-1,3-dione.
Chemical Property Profile of 1-(Azepan-1-yl)butane-1,3-dione
Property Insights of 1-(Azepan-1-yl)butane-1,3-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Azepan-1-yl)butane-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(Azepan-1-yl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)butane-1,3-dione 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-(Azepan-1-yl)butane-1,3-dione?
The CAS number of 1-(Azepan-1-yl)butane-1,3-dione is 78553-62-5.
What is the molecular formula of 1-(Azepan-1-yl)butane-1,3-dione?
The molecular formula of 1-(Azepan-1-yl)butane-1,3-dione is C10H17NO2.
What is the molecular weight of 1-(Azepan-1-yl)butane-1,3-dione?
The molecular weight of 1-(Azepan-1-yl)butane-1,3-dione is 183.13 g/mol.
Where can I buy 1-(Azepan-1-yl)butane-1,3-dione?
You can request a quote for 1-(Azepan-1-yl)butane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.