BAS 11413098
TL;DR: BAS 11413098 (CAS 876885-20-0) is a chemical compound with molecular formula C12H9F3N4O2S and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413098, 6-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43263930, 6-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(3,4-Dimethoxy-phenyl)-3-trifluoromethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C12H9F3N4O2S |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 2.8888 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.03983 |
| Heavy Atoms | 22 |
| Complexity | 827.49097 |
Chemical Identifiers
| CAS Number | 876885-20-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C(F)(F)F)OC |
Product Overview
BAS 11413098 (CAS 876885-20-0), with molecular formula C12H9F3N4O2S and molecular weight 330.04 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413098
Property Insights of BAS 11413098
The XLogP value of 2.8888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11413098. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11413098. Following Lipinski's Rule of Five, BAS 11413098 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 11413098?
The CAS number of BAS 11413098 is 876885-20-0.
What is the molecular formula of BAS 11413098?
The molecular formula of BAS 11413098 is C12H9F3N4O2S.
What is the molecular weight of BAS 11413098?
The molecular weight of BAS 11413098 is 330.04 g/mol.
Where can I buy BAS 11413098?
You can request a quote for BAS 11413098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413098?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.