3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-
TL;DR: 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- (CAS 275807-87-9) 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.
(3S)-3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one
Also Known As: 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-, 2H-Azepin-2-one, 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-, (-)-, 2H-Azepin-2-one, 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-, (3S)-, (3S)-3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one, (S)-3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
| 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 | 275807-87-9 |
|---|---|
| SMILES | CC[C@]1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC |
Product Overview
3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- (CAS 275807-87-9), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: (3S)-3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one.
Chemical Property Profile of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-
Property Insights of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-
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, (S)-. With a topological polar surface area (TPSA) of 29.54 Ų, 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- 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, (S)- 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, (S)-?
The CAS number of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- is 275807-87-9.
What is the molecular formula of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-?
The molecular formula of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- is C16H23NO2.
What is the molecular weight of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-?
The molecular weight of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- is 261.17 g/mol.
Where can I buy 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-?
You can request a quote for 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- 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, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.