3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
TL;DR: 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one (CAS 71556-72-4) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one
Also Known As: Maybridge3_005378, EINECS 275-619-4, 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one, IDI1_016765
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 2.9853 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 457.81708 |
Chemical Identifiers
| CAS Number | 71556-72-4 |
|---|---|
| SMILES | CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC |
Product Overview
3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one (CAS 71556-72-4), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one.
Chemical Property Profile of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
Property Insights of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
The XLogP value of 2.9853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one. With a topological polar surface area (TPSA) of 29.54 Ų, 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one 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 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
The CAS number of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one is 71556-72-4.
What is the molecular formula of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
The molecular formula of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one is C16H23NO2.
What is the molecular weight of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
The molecular weight of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one is 261.17 g/mol.
Where can I buy 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
You can request a quote for 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-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-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.