1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 694500-28-2) is a chemical compound with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: BAS 06981979, 1-(azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone, F2827-0017, 1-(azepan-1-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one, 1-(azepan-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.6263 |
| Topological Polar Surface Area | 72.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 609.01483 |
Chemical Identifiers
| CAS Number | 694500-28-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NN=C(O2)C3=CN=CC=C3 |
Product Overview
1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 694500-28-2), with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol. IUPAC: 1-(azepan-1-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 2.6263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone. The TPSA of 72.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone has 0 hydrogen bond donor(s) and 6 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)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 694500-28-2.
What is the molecular formula of 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is C15H18N4O2S.
What is the molecular weight of 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 318.12 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone 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)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.