![2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine structure](/static/products/401/401601-79-4.png)
2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine
TL;DR: 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine (CAS 401601-79-4) is a chemical compound with molecular formula C13H10BrN3S and molecular weight 318.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
Also Known As: 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine, 2-[(4-bromophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine, 2-[(4-bromophenyl)methylthio]imidazo[5,4-b]pyridine, 2-[(4-bromobenzyl)sulfanyl]-3H-imidazo[4,5-b]pyridine, 2-{[(4-BROMOPHENYL)METHYL]SULFANYL}-3H-IMIDAZO[4,5-B]PYRIDINE
| Molecular Formula | C13H10BrN3S |
|---|---|
| Molecular Weight | 318.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.97787 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 401601-79-4 |
|---|---|
| SMILES | C1=CC2=C(N=C1)N=C(N2)SCC3=CC=C(C=C3)Br |
| InChIKey | ZYJFGTVYKJWTNA-UHFFFAOYSA-N |
Product Overview
2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine (CAS 401601-79-4), with molecular formula C13H10BrN3S and molecular weight 318.98 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
Chemical Property Profile of 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine
Property Insights of 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine
The XLogP value of 3.8 indicates that 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine. Following Lipinski's Rule of Five, 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine has 1 hydrogen bond donor(s) and 3 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 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine?
The CAS number of 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine is 401601-79-4.
What is the molecular formula of 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine?
The molecular formula of 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine is C13H10BrN3S.
What is the molecular weight of 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine?
The molecular weight of 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine is 318.98 g/mol.
Where can I buy 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine?
You can request a quote for 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-bromobenzyl)thio)-3H-imidazo[4,5-b]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.