N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine
TL;DR: N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine (CAS 72536-44-8) is a chemical compound with molecular formula C17H22N2S and molecular weight 286.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine
Also Known As: N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine, 3H-Azepin-2-amine, N,N-diethyl-3-(methylthio)-5-phenyl-, N,N-diethyl-N-[3-(methylsulfanyl)-5-phenyl-3H-azepin-2-yl]amine, N,N-DIETHYL-3-(METHYLSULFANYL)-5-PHENYL-3H-AZEPIN-2-AMINE, RefChem:313831
| Molecular Formula | C17H22N2S |
|---|---|
| Molecular Weight | 286.15 g/mol |
| LogP | 4.0692 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.15036 |
| Heavy Atoms | 20 |
| Complexity | 513.05133 |
Chemical Identifiers
| CAS Number | 72536-44-8 |
|---|---|
| SMILES | CCN(CC)C1=NC=CC(=CC1SC)C2=CC=CC=C2 |
Product Overview
N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine (CAS 72536-44-8), with molecular formula C17H22N2S and molecular weight 286.15 g/mol. IUPAC: N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine.
Chemical Property Profile of N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine
Property Insights of N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine
The XLogP value of 4.0692 indicates that N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine has 0 hydrogen bond donor(s) and 3 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 N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine?
The CAS number of N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine is 72536-44-8.
What is the molecular formula of N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine?
The molecular formula of N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine is C17H22N2S.
What is the molecular weight of N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine?
The molecular weight of N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine is 286.15 g/mol.
Where can I buy N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine?
You can request a quote for N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-3-methylsulfanyl-5-phenyl-3H-azepin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.