hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
TL;DR: hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one (CAS 71592-43-3) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-1-methylazepan-2-one
Also Known As: 3-(3-methoxyphenyl)-1-methylazepan-2-one, Maybridge1_006498, Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, EINECS 275-649-8, 3-(3-METHOXYPHENYL)-1-METHYL-2-AZEPANONE
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 2.4211 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 402.96362 |
Chemical Identifiers
| CAS Number | 71592-43-3 |
|---|---|
| SMILES | CN1CCCCC(C1=O)C2=CC(=CC=C2)OC |
Product Overview
hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one (CAS 71592-43-3), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: 3-(3-methoxyphenyl)-1-methylazepan-2-one.
Chemical Property Profile of hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
Property Insights of hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
The XLogP value of 2.4211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one. With a topological polar surface area (TPSA) of 29.54 Ų, hexahydro-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, hexahydro-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 hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
The CAS number of hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one is 71592-43-3.
What is the molecular formula of hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
The molecular formula of hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one is C14H19NO2.
What is the molecular weight of hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
The molecular weight of hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one is 233.14 g/mol.
Where can I buy hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
You can request a quote for hexahydro-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 hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.