(5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane
TL;DR: (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane (CAS 162182-77-6) 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-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-butylsulfanyl-1,2,5-thiadiazole
Also Known As: J1.028.223C, 6-(4-butylsulfanyl-1,2,5-thiadiazol-3-yl)-1-azabicyclo[3.2.1]octane, (5r,6r)-6-(3-butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane, (5R,6R)-6-[4-(butylsulfanyl)-1,2,5-thiadiazol-3-yl]-1-azabicyclo[3.2.1]octane, 4-[(5R,6R)-1-Azabicyclo[3.2.1]octane-6-yl]-3-(butylthio)-1,2,5-thiadiazole
| Molecular Formula | C13H21N3S2 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.2395 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.11768 |
| Heavy Atoms | 18 |
| Complexity | 393.34302 |
Chemical Identifiers
| CAS Number | 162182-77-6 |
|---|---|
| SMILES | CCCCSC1=NSN=C1[C@H]2CN3CCC[C@H]2C3 |
Product Overview
(5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane (CAS 162182-77-6), with molecular formula C13H21N3S2 and molecular weight 283.12 g/mol. IUPAC: 3-[(5R,6R)-1-azabicyclo[3.2.1]octan-6-yl]-4-butylsulfanyl-1,2,5-thiadiazole.
Chemical Property Profile of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane
Property Insights of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane
The XLogP value of 3.2395 indicates that (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane 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 (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane?
The CAS number of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane is 162182-77-6.
What is the molecular formula of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane?
The molecular formula of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane is C13H21N3S2.
What is the molecular weight of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane?
The molecular weight of (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane is 283.12 g/mol.
Where can I buy (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane?
You can request a quote for (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane?
Yes, KEHONG BIO provides custom synthesis services for (5r,6r)-6-(3-Butylthio-1,2,5-thiadiazol-4-yl)-1-azabicyclo(3,2,1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.