3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 690246-64-1) is a chemical compound with molecular formula C16H20N4O3S3 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide, 3-(azepan-1-ylsulfonyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, F1651-0019, 3-(AZEPANE-1-SULFONYL)-N-[5-(METHYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]BENZAMIDE, [3-(azaperhydroepinylsulfonyl)phenyl]-N-(5-methylthio(1,3,4-thiadiazol-2-yl))c arboxamide
| Molecular Formula | C16H20N4O3S3 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 3.077 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.06976 |
| Heavy Atoms | 26 |
| Complexity | 874.37006 |
Chemical Identifiers
| CAS Number | 690246-64-1 |
|---|---|
| SMILES | CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 690246-64-1), with molecular formula C16H20N4O3S3 and molecular weight 412.07 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.077 indicates that 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 7 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 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is 690246-64-1.
What is the molecular formula of 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is C16H20N4O3S3.
What is the molecular weight of 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is 412.07 g/mol.
Where can I buy 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylsulfonyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.