BAS 11413380
TL;DR: BAS 11413380 (CAS 876889-93-9) is a chemical compound with molecular formula C11H5Cl2F3N4OS and molecular weight 367.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2,4-dichlorophenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413380, AO-365/43263872, 6-[(2,4-dichlorophenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 2,4-dichlorophenyl [3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl ether, 6-[(2,4-dichlorophenoxy)methyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C11H5Cl2F3N4OS |
|---|---|
| Molecular Weight | 367.95 g/mol |
| LogP | 4.0904 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.95132 |
| Heavy Atoms | 22 |
| Complexity | 832.4568 |
Chemical Identifiers
| CAS Number | 876889-93-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC2=NN3C(=NN=C3S2)C(F)(F)F |
Product Overview
BAS 11413380 (CAS 876889-93-9), with molecular formula C11H5Cl2F3N4OS and molecular weight 367.95 g/mol. IUPAC: 6-[(2,4-dichlorophenoxy)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 11413380
Property Insights of BAS 11413380
The XLogP value of 4.0904 indicates that BAS 11413380 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 11413380 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11413380 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 11413380?
The CAS number of BAS 11413380 is 876889-93-9.
What is the molecular formula of BAS 11413380?
The molecular formula of BAS 11413380 is C11H5Cl2F3N4OS.
What is the molecular weight of BAS 11413380?
The molecular weight of BAS 11413380 is 367.95 g/mol.
Where can I buy BAS 11413380?
You can request a quote for BAS 11413380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11413380?
Yes, KEHONG BIO provides custom synthesis services for BAS 11413380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.