![3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole structure](/static/products/1415/141575-52-2.webp)
3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole
TL;DR: 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole (CAS 141575-52-2) is a chemical compound with molecular formula C13H21N3S2 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-azabicyclo[2.2.2]octan-3-yl)-4-butylsulfanyl-1,2,5-thiadiazole
Also Known As: Vedaclidine, vedaclidina, NNC 11-1053, NNC-11-1053, LY-297,802
| Molecular Formula | C13H21N3S2 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.11768 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 141575-52-2 |
|---|---|
| SMILES | CCCCSC1=NSN=C1C2CN3CCC2CC3 |
| InChIKey | WZZPXVURFDJHGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole (CAS 141575-52-2), with molecular formula C13H21N3S2 and molecular weight 283.12 g/mol. IUPAC: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-butylsulfanyl-1,2,5-thiadiazole.
Chemical Property Profile of 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole
Property Insights of 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole
The XLogP value of 3.1 indicates that 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole. Following Lipinski's Rule of Five, 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole has 0 hydrogen bond donor(s) and 5 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-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole?
The CAS number of 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole is 141575-52-2.
What is the molecular formula of 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole?
The molecular formula of 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole is C13H21N3S2.
What is the molecular weight of 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole?
The molecular weight of 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole is 283.12 g/mol.
Where can I buy 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole?
You can request a quote for 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Azabicyclo[2.2.2]octan-8-yl)-4-butylsulfanyl-1,2,5-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.