3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one
TL;DR: 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one (CAS 895798-35-3) is a chemical compound with molecular formula C16H19NOS and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-6-methylthiochromen-4-one
Also Known As: 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one, 3-(azepan-1-yl)-6-methylthiochromen-4-one, 3-azepan-1-yl-6-methyl-4H-thiochromen-4-one, F2032-0113
| Molecular Formula | C16H19NOS |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 3.95032 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.11874 |
| Heavy Atoms | 19 |
| Complexity | 638.72925 |
Chemical Identifiers
| CAS Number | 895798-35-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC=C(C2=O)N3CCCCCC3 |
Product Overview
3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one (CAS 895798-35-3), with molecular formula C16H19NOS and molecular weight 273.12 g/mol. IUPAC: 3-(azepan-1-yl)-6-methylthiochromen-4-one.
Chemical Property Profile of 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one
Property Insights of 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one
The XLogP value of 3.95032 indicates that 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one 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 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one?
The CAS number of 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one is 895798-35-3.
What is the molecular formula of 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one?
The molecular formula of 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one is C16H19NOS.
What is the molecular weight of 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one?
The molecular weight of 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one is 273.12 g/mol.
Where can I buy 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one?
You can request a quote for 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.