Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-
TL;DR: Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- (CAS 70733-81-2) is a chemical compound with molecular formula C17H25NO3S and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azocan-1-yl-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-, 5-20-04-00162 (Beilstein Handbook Reference), Octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)azocine, (Azocan-1-yl)(3,4,5-trimethoxyphenyl)methanethione, azocan-1-yl-(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C17H25NO3S |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 3.654 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.15552 |
| Heavy Atoms | 22 |
| Complexity | 485.62067 |
Chemical Identifiers
| CAS Number | 70733-81-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCCCCC2 |
Product Overview
Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- (CAS 70733-81-2), with molecular formula C17H25NO3S and molecular weight 323.16 g/mol. IUPAC: azocan-1-yl-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-
Property Insights of Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-
The XLogP value of 3.654 indicates that Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- 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 Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-?
The CAS number of Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- is 70733-81-2.
What is the molecular formula of Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-?
The molecular formula of Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- is C17H25NO3S.
What is the molecular weight of Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-?
The molecular weight of Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- is 323.16 g/mol.
Where can I buy Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-?
You can request a quote for Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Azocine, octahydro-1-(thioxo(3,4,5-trimethoxyphenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.