BAS 11413290
TL;DR: BAS 11413290 (CAS 876888-53-8) is a chemical compound with molecular formula C11H6ClF3N4OS and molecular weight 333.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413290, AO-365/43264741, 6-[(2-chlorophenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(2-chlorophenoxy)methyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C11H6ClF3N4OS |
|---|---|
| Molecular Weight | 333.99 g/mol |
| LogP | 3.437 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.9903 |
| Heavy Atoms | 21 |
| Complexity | 785.21045 |
Chemical Identifiers
| CAS Number | 876888-53-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OCC2=NN3C(=NN=C3S2)C(F)(F)F)Cl |
Product Overview
BAS 11413290 (CAS 876888-53-8), with molecular formula C11H6ClF3N4OS and molecular weight 333.99 g/mol. IUPAC: 6-[(2-chlorophenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413290
Property Insights of BAS 11413290
The XLogP value of 3.437 indicates that BAS 11413290 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 11413290 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11413290 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 11413290?
The CAS number of BAS 11413290 is 876888-53-8.
What is the molecular formula of BAS 11413290?
The molecular formula of BAS 11413290 is C11H6ClF3N4OS.
What is the molecular weight of BAS 11413290?
The molecular weight of BAS 11413290 is 333.99 g/mol.
Where can I buy BAS 11413290?
You can request a quote for BAS 11413290 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413290?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413290 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.