BAS 11413152
TL;DR: BAS 11413152 (CAS 876885-89-1) is a chemical compound with molecular formula C12H9F3N4OS and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-methylphenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413152, AO-365/43263834, 6-[(2-methylphenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(2-methylphenoxy)methyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-o-Tolyloxymethyl-3-trifluoromethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C12H9F3N4OS |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 3.09202 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.04492 |
| Heavy Atoms | 21 |
| Complexity | 780.2447 |
Chemical Identifiers
| CAS Number | 876885-89-1 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN3C(=NN=C3S2)C(F)(F)F |
Product Overview
BAS 11413152 (CAS 876885-89-1), with molecular formula C12H9F3N4OS and molecular weight 314.04 g/mol. IUPAC: 6-[(2-methylphenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413152
Property Insights of BAS 11413152
The XLogP value of 3.09202 indicates that BAS 11413152 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, BAS 11413152 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11413152 has 0 hydrogen bond donor(s) and 5 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 11413152?
The CAS number of BAS 11413152 is 876885-89-1.
What is the molecular formula of BAS 11413152?
The molecular formula of BAS 11413152 is C12H9F3N4OS.
What is the molecular weight of BAS 11413152?
The molecular weight of BAS 11413152 is 314.04 g/mol.
Where can I buy BAS 11413152?
You can request a quote for BAS 11413152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413152?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.