![1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one structure](/static/products/850/850187-49-4.png)
1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
TL;DR: 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one (CAS 850187-49-4) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
Also Known As: 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one, 1-((3H-imidazo[4,5-b]pyridin-2-yl)thio)-3,3-dimethylbutan-2-one
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.6652 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 508.91946 |
Chemical Identifiers
| CAS Number | 850187-49-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=C(N1)C=CC=N2 |
Product Overview
1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one (CAS 850187-49-4), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
Property Insights of 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
The XLogP value of 2.6652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one has 1 hydrogen bond donor(s) and 4 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 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
The CAS number of 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one is 850187-49-4.
What is the molecular formula of 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
The molecular formula of 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one is C12H15N3OS.
What is the molecular weight of 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
The molecular weight of 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one is 249.09 g/mol.
Where can I buy 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
You can request a quote for 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.