3-Ethyl-3-(3-methoxyphenyl)azepan-2-one
TL;DR: 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one (CAS 71556-83-7) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-(3-methoxyphenyl)azepan-2-one
Also Known As: Maybridge3_002881, 3-ethyl-3-(3-methoxyphenyl)azepan-2-one, 3-ethyl-3-(3-methoxyphenyl)-2-azepanone, IDI1_014268, 3-ethyl-3-(3-methoxy-phenyl)-azepan-2-one
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.6431 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 430.2567 |
Chemical Identifiers
| CAS Number | 71556-83-7 |
|---|---|
| SMILES | CCC1(CCCCNC1=O)C2=CC(=CC=C2)OC |
Product Overview
3-Ethyl-3-(3-methoxyphenyl)azepan-2-one (CAS 71556-83-7), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: 3-ethyl-3-(3-methoxyphenyl)azepan-2-one.
Chemical Property Profile of 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one
Property Insights of 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one
The XLogP value of 2.6431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one. With a topological polar surface area (TPSA) of 38.33 Ų, 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one has 1 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 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one?
The CAS number of 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one is 71556-83-7.
What is the molecular formula of 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one?
The molecular formula of 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one is C15H21NO2.
What is the molecular weight of 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one?
The molecular weight of 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one is 247.16 g/mol.
Where can I buy 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one?
You can request a quote for 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-(3-methoxyphenyl)azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.