![3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine structure](/static/products/5680/5680-56-8.webp)
3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine
TL;DR: 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine (CAS 5680-56-8) is a chemical compound with molecular formula C13H13BrN2OS and molecular weight 323.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-6-ethoxypyridazine
Also Known As: 3-[(4-bromobenzyl)sulfanyl]-6-ethoxypyridazine, 3-[(4-bromophenyl)methylsulfanyl]-6-ethoxypyridazine, Pyridazine,3-[[(4-bromophenyl)methyl]thio]-6-ethoxy-, 3-{[(4-BROMOPHENYL)METHYL]SULFANYL}-6-ETHOXYPYRIDAZINE
| Molecular Formula | C13H13BrN2OS |
|---|---|
| Molecular Weight | 323.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.9932 |
| Heavy Atoms | 18 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 5680-56-8 |
|---|---|
| SMILES | CCOC1=NN=C(C=C1)SCC2=CC=C(C=C2)Br |
| InChIKey | AVNLQCCWGABQIX-UHFFFAOYSA-N |
Product Overview
3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine (CAS 5680-56-8), with molecular formula C13H13BrN2OS and molecular weight 323.99 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-6-ethoxypyridazine.
Chemical Property Profile of 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine
Property Insights of 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine
The XLogP value of 3.5 indicates that 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine. Following Lipinski's Rule of Five, 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine has 0 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 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine?
The CAS number of 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine is 5680-56-8.
What is the molecular formula of 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine?
The molecular formula of 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine is C13H13BrN2OS.
What is the molecular weight of 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine?
The molecular weight of 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine is 323.99 g/mol.
Where can I buy 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine?
You can request a quote for 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Bromobenzyl)sulfanyl]-6-ethoxypyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.