1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one
TL;DR: 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one (CAS 896827-35-3) is a chemical compound with molecular formula C20H27N3O5S and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-3-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
Also Known As: 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one, 1-(azepan-1-yl)-3-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one, 1-(azepan-1-yl)-3-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propan-1-one
| Molecular Formula | C20H27N3O5S |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 3.6472 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.16714 |
| Heavy Atoms | 29 |
| Complexity | 793.1932 |
Chemical Identifiers
| CAS Number | 896827-35-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCCC(=O)N3CCCCCC3 |
Product Overview
1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one (CAS 896827-35-3), with molecular formula C20H27N3O5S and molecular weight 421.17 g/mol. IUPAC: 1-(azepan-1-yl)-3-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one.
Chemical Property Profile of 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one
Property Insights of 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one
The XLogP value of 3.6472 indicates that 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one. Following Lipinski's Rule of Five, 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one has 0 hydrogen bond donor(s) and 8 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 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one?
The CAS number of 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one is 896827-35-3.
What is the molecular formula of 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one?
The molecular formula of 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one is C20H27N3O5S.
What is the molecular weight of 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one?
The molecular weight of 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one is 421.17 g/mol.
Where can I buy 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one?
You can request a quote for 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(azepan-1-yl)-3-((5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.