Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione
TL;DR: Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione (CAS 767323-33-1) is a chemical compound with molecular formula C16H23NO3S and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione, azepan-1-yl-(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C16H23NO3S |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 3.2639 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.13986 |
| Heavy Atoms | 21 |
| Complexity | 471.29062 |
Chemical Identifiers
| CAS Number | 767323-33-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCCCC2 |
Product Overview
Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione (CAS 767323-33-1), with molecular formula C16H23NO3S and molecular weight 309.14 g/mol. IUPAC: azepan-1-yl-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione
Property Insights of Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione
The XLogP value of 3.2639 indicates that Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione has 0 hydrogen bond donor(s) and 4 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 Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione?
The CAS number of Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione is 767323-33-1.
What is the molecular formula of Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione?
The molecular formula of Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione is C16H23NO3S.
What is the molecular weight of Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione?
The molecular weight of Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione is 309.14 g/mol.
Where can I buy Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione?
You can request a quote for Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(3,4,5-trimethoxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.