![6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one structure](/static/products/893/893767-01-6.png)
6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
TL;DR: 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one (CAS 893767-01-6) is a chemical compound with molecular formula C13H9N5O3S and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Also Known As: A4085/0174111, 3-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one, 6-(4-(benzo[d][1,3]dioxol-5-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one, 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one, 4-(1,3-benzodioxol-5-yl)-5-(6-hydroxypyridazin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H9N5O3S |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 1.40889 |
| Topological Polar Surface Area | 97.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.0426 |
| Heavy Atoms | 22 |
| Complexity | 953.7972 |
Chemical Identifiers
| CAS Number | 893767-01-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NNC(=O)C=C4 |
Product Overview
6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one (CAS 893767-01-6), with molecular formula C13H9N5O3S and molecular weight 315.04 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one.
Chemical Property Profile of 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
Property Insights of 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
The XLogP value of 1.40889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one. The TPSA of 97.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one. Following Lipinski's Rule of Five, 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one has 2 hydrogen bond donor(s) and 6 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 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one?
The CAS number of 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one is 893767-01-6.
What is the molecular formula of 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one?
The molecular formula of 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one is C13H9N5O3S.
What is the molecular weight of 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one?
The molecular weight of 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one is 315.04 g/mol.
Where can I buy 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one?
You can request a quote for 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.