(2S)-2-(4-methoxyphenyl)azepane
TL;DR: (2S)-2-(4-methoxyphenyl)azepane (CAS 1213080-69-3) is a chemical compound with molecular formula C13H19NO and molecular weight 205.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(4-methoxyphenyl)azepane
Also Known As: 2-(4-methoxyphenyl)azepane, (2S)-2-(4-methoxyphenyl)azepane, (2S)-Hexahydro-2-(4-methoxyphenyl)-1H-azepine
Technical Specifications
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.14667 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.14667 Da |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
| SMILES | COC1=CC=C(C=C1)[C@@H]2CCCCCN2 |
| InChIKey | WWJBDSBGLBEFSH-ZDUSSCGKSA-N |
Chemical Property Profile of (2S)-2-(4-methoxyphenyl)azepane
Property Insights of (2S)-2-(4-methoxyphenyl)azepane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-methoxyphenyl)azepane. With a topological polar surface area (TPSA) of 21.3 Ų, (2S)-2-(4-methoxyphenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(4-methoxyphenyl)azepane 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
What is the CAS number of (2S)-2-(4-methoxyphenyl)azepane?
The CAS number of (2S)-2-(4-methoxyphenyl)azepane is 1213080-69-3.
What is the molecular formula of (2S)-2-(4-methoxyphenyl)azepane?
The molecular formula of (2S)-2-(4-methoxyphenyl)azepane is C13H19NO.
What is the molecular weight of (2S)-2-(4-methoxyphenyl)azepane?
The molecular weight of (2S)-2-(4-methoxyphenyl)azepane is 205.14667 g/mol.
Where can I buy (2S)-2-(4-methoxyphenyl)azepane?
You can request a quote for (2S)-2-(4-methoxyphenyl)azepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-(4-methoxyphenyl)azepane?
Yes, CoreyChem provides custom synthesis services for (2S)-2-(4-methoxyphenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.