BAS 12974896
TL;DR: BAS 12974896 (CAS 878428-99-0) is a chemical compound with molecular formula C17H12N4O2S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12974896, 6-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43301244, 6-(benzo[d][1,3]dioxol-5-yl)-3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H12N4O2S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 3.55692 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.06808 |
| Heavy Atoms | 24 |
| Complexity | 1069.586 |
Chemical Identifiers
| CAS Number | 878428-99-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C3N2N=C(S3)C4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 12974896 (CAS 878428-99-0), with molecular formula C17H12N4O2S and molecular weight 336.07 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12974896
Property Insights of BAS 12974896
The XLogP value of 3.55692 indicates that BAS 12974896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12974896. Following Lipinski's Rule of Five, BAS 12974896 has 0 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 12974896?
The CAS number of BAS 12974896 is 878428-99-0.
What is the molecular formula of BAS 12974896?
The molecular formula of BAS 12974896 is C17H12N4O2S.
What is the molecular weight of BAS 12974896?
The molecular weight of BAS 12974896 is 336.07 g/mol.
Where can I buy BAS 12974896?
You can request a quote for BAS 12974896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12974896?
Yes, KEHONG BIO provides custom synthesis services for BAS 12974896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.