![2-[2-(Methylsulfanyl)phenyl]azepane structure](/static/products/527/527673-72-9.png)
2-[2-(Methylsulfanyl)phenyl]azepane
TL;DR: 2-[2-(Methylsulfanyl)phenyl]azepane (CAS 527673-72-9) is a chemical compound with molecular formula C13H19NS and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylsulfanylphenyl)azepane
Also Known As: 2-(2-methylsulfanylphenyl)azepane, 2-[2-(methylsulfanyl)phenyl]azepane
| Molecular Formula | C13H19NS |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 3.6132 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.12383 |
| Heavy Atoms | 15 |
| Complexity | 303.15918 |
Chemical Identifiers
| CAS Number | 527673-72-9 |
|---|---|
| SMILES | CSC1=CC=CC=C1C2CCCCCN2 |
Product Overview
2-[2-(Methylsulfanyl)phenyl]azepane (CAS 527673-72-9), with molecular formula C13H19NS and molecular weight 221.12 g/mol. IUPAC: 2-(2-methylsulfanylphenyl)azepane.
Chemical Property Profile of 2-[2-(Methylsulfanyl)phenyl]azepane
Property Insights of 2-[2-(Methylsulfanyl)phenyl]azepane
The XLogP value of 3.6132 indicates that 2-[2-(Methylsulfanyl)phenyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-[2-(Methylsulfanyl)phenyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(Methylsulfanyl)phenyl]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
Frequently Asked Questions
What is the CAS number of 2-[2-(Methylsulfanyl)phenyl]azepane?
The CAS number of 2-[2-(Methylsulfanyl)phenyl]azepane is 527673-72-9.
What is the molecular formula of 2-[2-(Methylsulfanyl)phenyl]azepane?
The molecular formula of 2-[2-(Methylsulfanyl)phenyl]azepane is C13H19NS.
What is the molecular weight of 2-[2-(Methylsulfanyl)phenyl]azepane?
The molecular weight of 2-[2-(Methylsulfanyl)phenyl]azepane is 221.12 g/mol.
Where can I buy 2-[2-(Methylsulfanyl)phenyl]azepane?
You can request a quote for 2-[2-(Methylsulfanyl)phenyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Methylsulfanyl)phenyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Methylsulfanyl)phenyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.