![3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/6902/690246-65-2.webp)
3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 690246-65-2) is a chemical compound with molecular formula C18H22N4O3S3 and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, F1651-0020, 3-(AZEPANE-1-SULFONYL)-N-[5-(PROP-2-EN-1-YLSULFANYL)-1,3,4-THIADIAZOL-2-YL]BENZAMIDE, N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide, 3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C18H22N4O3S3 |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 3.6332 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.08542 |
| Heavy Atoms | 28 |
| Complexity | 935.0574 |
Chemical Identifiers
| CAS Number | 690246-65-2 |
|---|---|
| SMILES | C=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 690246-65-2), with molecular formula C18H22N4O3S3 and molecular weight 438.09 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 3.6332 indicates that 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-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-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide. Following Lipinski's Rule of Five, 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-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-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide is 690246-65-2.
What is the molecular formula of 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide is C18H22N4O3S3.
What is the molecular weight of 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide is 438.09 g/mol.
Where can I buy 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-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-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylsulfonyl)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.