Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-
TL;DR: Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- (CAS 70733-82-3) is a chemical compound with molecular formula C18H25NO4S and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azocane-1-carbothioyl)-2,6-dimethoxyphenyl] acetate
Also Known As: Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-, Octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)azocine, 4-(Azocane-1-carbothioyl)-2,6-dimethoxyphenyl acetate, [4-(azocane-1-carbothioyl)-2,6-dimethoxyphenyl] acetate, BRN 1661920
| Molecular Formula | C18H25NO4S |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.5707 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.15042 |
| Heavy Atoms | 24 |
| Complexity | 569.6767 |
Chemical Identifiers
| CAS Number | 70733-82-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)C(=S)N2CCCCCCC2)OC |
Product Overview
Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- (CAS 70733-82-3), with molecular formula C18H25NO4S and molecular weight 351.15 g/mol. IUPAC: [4-(azocane-1-carbothioyl)-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-
Property Insights of Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-
The XLogP value of 3.5707 indicates that Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- has 0 hydrogen bond donor(s) and 5 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-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-?
The CAS number of Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- is 70733-82-3.
What is the molecular formula of Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-?
The molecular formula of Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- is C18H25NO4S.
What is the molecular weight of Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-?
The molecular weight of Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- is 351.15 g/mol.
Where can I buy Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-?
You can request a quote for Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- 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-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.