N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide
TL;DR: N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide (CAS 851783-94-3) is a chemical compound with molecular formula C21H28N4O6S and molecular weight 464.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
Also Known As: N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide, N-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide, N-[(5-{[2-(AZEPAN-1-YL)-2-OXOETHYL]SULFANYL}-1,3,4-OXADIAZOL-2-YL)METHYL]-3,4,5-TRIMETHOXYBENZAMIDE
| Molecular Formula | C21H28N4O6S |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 2.5201 |
| Topological Polar Surface Area | 116.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.17294 |
| Heavy Atoms | 32 |
| Complexity | 901.75885 |
Chemical Identifiers
| CAS Number | 851783-94-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NN=C(O2)SCC(=O)N3CCCCCC3 |
Product Overview
N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide (CAS 851783-94-3), with molecular formula C21H28N4O6S and molecular weight 464.17 g/mol. IUPAC: N-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide
Property Insights of N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide
The XLogP value of 2.5201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide. The TPSA of 116.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 9 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 N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide?
The CAS number of N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide is 851783-94-3.
What is the molecular formula of N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide is C21H28N4O6S.
What is the molecular weight of N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide is 464.17 g/mol.
Where can I buy N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.