BAS 12974846
TL;DR: BAS 12974846 (CAS 878428-94-5) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,4-dimethoxyphenyl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12974846, 6-(3,4-dimethoxybenzyl)-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(3,4-dimethoxyphenyl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43301315, 6-(3,4-Dimethoxy-benzyl)-3-m-tolyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.76922 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 1070.5347 |
Chemical Identifiers
| CAS Number | 878428-94-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C3N2N=C(S3)CC4=CC(=C(C=C4)OC)OC |
Product Overview
BAS 12974846 (CAS 878428-94-5), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 6-[(3,4-dimethoxyphenyl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12974846
Property Insights of BAS 12974846
The XLogP value of 3.76922 indicates that BAS 12974846 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 12974846. Following Lipinski's Rule of Five, BAS 12974846 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 12974846?
The CAS number of BAS 12974846 is 878428-94-5.
What is the molecular formula of BAS 12974846?
The molecular formula of BAS 12974846 is C19H18N4O2S.
What is the molecular weight of BAS 12974846?
The molecular weight of BAS 12974846 is 366.12 g/mol.
Where can I buy BAS 12974846?
You can request a quote for BAS 12974846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12974846?
Yes, KEHONG BIO provides custom synthesis services for BAS 12974846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.