Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-
TL;DR: Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- (CAS 29936-71-8) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetylphenoxy)-1-(azepan-1-yl)ethanone
Also Known As: 2-(4-acetylphenoxy)-1-(azepan-1-yl)ethanone, 4'-(Hexahydro-1H-azepinyl)carbonylmethoxyacetophenone, 1H-Azepine, hexahydro-1-(2-(p-acetylphenoxy)acetyl)-, 5-20-04-00036 (Beilstein Handbook Reference), ACETOPHENONE, 4'-(HEXAHYDRO-1H-AZEPINYL)CARBONYLMETHOXY-
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 29936-71-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCCCC2 |
| InChIKey | DMQAICWZFPRRFO-UHFFFAOYSA-N |
Product Overview
Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- (CAS 29936-71-8), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 2-(4-acetylphenoxy)-1-(azepan-1-yl)ethanone.
Chemical Property Profile of Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-
Property Insights of Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-. With a topological polar surface area (TPSA) of 46.6 Ų, Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- 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 Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-?
The CAS number of Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- is 29936-71-8.
What is the molecular formula of Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-?
The molecular formula of Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- is C16H21NO3.
What is the molecular weight of Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-?
The molecular weight of Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- is 275.15 g/mol.
Where can I buy Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-?
You can request a quote for Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.