![1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one structure](/static/products/862/862118-52-3.png)
1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
TL;DR: 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one (CAS 862118-52-3) is a chemical compound with molecular formula C12H14BrN3OS and molecular weight 327.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-((6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)thio)-3,3-dimethylbutan-2-one, 1-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
| Molecular Formula | C12H14BrN3OS |
|---|---|
| Molecular Weight | 327.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0041 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 862118-52-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=C(N1)C=C(C=N2)Br |
| InChIKey | FVAYOVRLQKMITF-UHFFFAOYSA-N |
Product Overview
1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one (CAS 862118-52-3), with molecular formula C12H14BrN3OS and molecular weight 327.00 g/mol. IUPAC: 1-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
Property Insights of 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
The XLogP value of 3.4 indicates that 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one. Following Lipinski's Rule of Five, 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-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-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one?
The CAS number of 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one is 862118-52-3.
What is the molecular formula of 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one?
The molecular formula of 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one is C12H14BrN3OS.
What is the molecular weight of 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one?
The molecular weight of 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one is 327.00 g/mol.
Where can I buy 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one?
You can request a quote for 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-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-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.