BAS 11409537
TL;DR: BAS 11409537 (CAS 728016-67-9) is a chemical compound with molecular formula C14H11N5O3S and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
Also Known As: BAS 11409537, A3847/0163394, 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(6-hydroxypyridazin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 6-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)pyridazin-3(2H)-one
| Molecular Formula | C14H11N5O3S |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 1.45139 |
| Topological Polar Surface Area | 97.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.05826 |
| Heavy Atoms | 23 |
| Complexity | 970.0681 |
Chemical Identifiers
| CAS Number | 728016-67-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=NNC(=O)C=C4 |
Product Overview
BAS 11409537 (CAS 728016-67-9), with molecular formula C14H11N5O3S and molecular weight 329.06 g/mol. IUPAC: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one.
Chemical Property Profile of BAS 11409537
Property Insights of BAS 11409537
The XLogP value of 1.45139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11409537. The TPSA of 97.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11409537. Following Lipinski's Rule of Five, BAS 11409537 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 BAS 11409537?
The CAS number of BAS 11409537 is 728016-67-9.
What is the molecular formula of BAS 11409537?
The molecular formula of BAS 11409537 is C14H11N5O3S.
What is the molecular weight of BAS 11409537?
The molecular weight of BAS 11409537 is 329.06 g/mol.
Where can I buy BAS 11409537?
You can request a quote for BAS 11409537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11409537?
Yes, KEHONG BIO provides custom synthesis services for BAS 11409537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.